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Berry phases near degeneracies: Beyond the simplest case

Anupam Garg
Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208
共Received 23 January 2009; accepted 11 March 2010兲
The Berry phase is reviewed with emphasis on the Berry curvature and the Chern number. The
behavior of these quantities and the analytic properties of adiabatically continued wave functions in
the vicinity of degeneracies are discussed. An example of a spin Hamiltonian is given in which the
Chern numbers associated with the states involved in a double degeneracy are ⫾2 rather than ⫾1,
as is usually the case. Degeneracies in the spectrum of magnetic molecular solids are discussed.
© 2010 American Association of Physics Teachers.
关DOI: 10.1119/1.3377135兴

I. INTRODUCTION eral theorem about the Chern number is bound to be curious


about problems where higher numbers arise.22 I have not
The Berry phase entered the lexicon of physics some been able to find any such example, however.
25 years ago.1 Since then, numerous physical applications It was this motivation that led me to the example pre-
and experimental confirmations of this phase have been sented here. In this example the degeneracy is twofold, but
found. There is an enormous literature on the subject, of the Chern number is ⫾2. In discussing it, I found myself
which I cannot give a complete account because only a small invoking basic Berry phase concepts repeatedly, and so I
part is known to me. A resource letter2 gives a much more have included a review of these concepts. One could equally
complete reference list up to 1996. A reprint volume3 with well read the papers of Berry1 or Holstein,19 for example, but
commentary contains the pioneering papers including antici- it is useful to have all of the results in one place in uniform
pations of the phase and related physics by Pancharatnam,4 notation. I also discuss related issues such as the codimen-
Herzberg and Longuet-Higgins,5,6 Stone,7 and Mead and sions of degeneracies and some of the subtle points about
Trulhar.8 We may nevertheless mention some other papers in single-valuedness and analyticity of the wave functions, as
which the physical consequences of the phase are described. students often find these confusing.
Among the experiments, we note the rotation of the polar- The paper is written at a level suitable for graduate stu-
ization of light in a helical optical fiber,9 neutron spin rota- dents or advanced undergraduates. There is much quantum
tion in a helical magnetic field,10 and an NMR measurement mechanics to be learned. In addition to the Berry phase no-
on protons.11,12 There are also many connections with effects tions themselves, the example entails perturbation theory for
in solid state physics such as the quantization of the Hall the case where a degeneracy is not lifted until the second
conductance in a periodic potential,13 the polarization of order. The energies are needed to second order, and the wave
ferroelectrics,14 and the anomalous velocity in semiclassical functions are needed to first order. This case tends be dis-
electron dynamics.15 A more recent example is that of the cussed only in relatively advanced texts.23,24
half-integer shift in the quantization condition for the quan- The plan of the paper is as follows. The review is con-
tum Hall effect in graphene.16–18 tained in Sec. II. Expert readers can skip this section. The
There are several excellent expositions of the Berry phase, example with Chern number ⫾2 is given in Sec. III. In Sec.
or geometrical phase as it is also called. Berry’s original IV I briefly discuss magnetic molecular solids, a class of
paper1 is exceptionally lucid and strongly recommended. A materials which have been the subject of much recent study,
good explanation has been given by Holstein.19 Another su- and which display degeneracies and associated Berry phase
perb explanation is given by Shankar,20 who especially clari- physics in abundance. The spin Hamiltonians that arise in
fies the role and effects of this phase in the Born– studying these systems are similar to the example in Sec. III.
Oppenheimer approximation. In Sec. V I present a few exercises that students may enjoy.
The purpose of this paper is to discuss a slightly more The more difficult ones could even form the basis of short
study projects. Alternative treatments of the codimensions of
intricate example of Berry’s phase than is usually encoun-
degeneracies and of the Berry curvature for the example in
tered. Of the articles intended for a general audience of
Sec. III are given in the Appendixes.
which I am aware, none go beyond the example of a spin in
a slowly time-dependent magnetic field. Further, these papers
focus mainly on the Berry potential A, whose line integral in
parameter space gives the geometrical phase.21 We shall at-
tend more to the Berry curvature given by the generalized II. REVIEW OF BASIC BERRY-PHASE CONCEPTS
curl or exterior derivative of this potential. Also, the math-
ematical and physical structures that Berry’s phase entails are In this section we review the key ideas behind Berry’s
very rich, and the simple spin example does not capture them phase using a notation close to his original one.1 We consider
fully. For example, the integral of the Berry curvature over a a quantum system with Hamiltonian H共R兲, which depends
closed surface is guaranteed to be an integer multiple of 2␲. parametrically on variables, R1 , R2 , . . ., denoted collectively
The integer, known as the Chern number, is a topological by the vector R. We shall write most formulas as if R
invariant. For the simple example, it turns out to be ⫾1. In were three dimensional, but this is done merely for conve-
so far as one learns physics more effectively through ex- nience, and the arguments hold equally well for higher di-
ample and counterexample, anyone who encounters the gen- mensional R.25

661 Am. J. Phys. 78 共7兲, July 2010 http://aapt.org/ajp © 2010 American Association of Physics Teachers 661
A. Adiabatic transport and the Berry phase

Let us now suppose that R can be varied with time, and


␥n共C兲 = 冖 C
An共R兲 ·
dR
dt
dt. 共10兲

this variation is so slow as to allow the adiabatic approxima-


Vector potentials are not gauge invariant, but the Aharonov–
tion. Let 兩n共R兲典 denote the eigenstates of H共R兲,
Bohm phase is. The quantity An共R兲 is now known as the
H共R兲兩n共R兲典 = En共R兲兩n共R兲典. 共1兲 Berry vector potential or the Berry connection.26 The latter
terminology arises because An共R兲 describes how to relate or
We shall refer to this as the snapshot basis because it is found connect the kets 兩n共R兲典 and 兩n共R + dR兲典 at two nearby points
by freezing R at a particular value, as in a snapshot. Berry in parameter space. The phase ␥n共C兲 is viewed as the an-
showed that if R is taken around a closed loop C so that holonomy associated with this connection.27
R共t = 0兲 = R共t = T兲, and if the initial state is 兩n共R共0兲兲典, then
provided the system does not pass through any degeneracies,
the final state at time T is B. The Berry curvature

ei␥nei␾n兩n共R共T兲兲典. 共2兲 It is now clear how to write ␥n in a manifestly gauge


invariant way. If we define the magnetic-field-like object,
Because R共T兲 = R共0兲, the system returns to its original state,
Bn共R兲 = ⵱R ⫻ An共R兲, 共11兲
as mandated by the adiabatic theorem, but modulo the phase
␥n + ␾n. The part ␾n is the dynamical phase, which is known as the Berry curvature, then by Stokes’ theo-

冕 T rem we may write ␥n as a surface integral,


1
␾n = −
ប 0
En共R共t兲兲dt. 共3兲
␥n共C兲 = 冕冕 S
Bn共R兲 · dS, 共12兲
The other part is the Berry phase,

冕 T
where S is any surface spanning C. Since Bn is gauge invari-
d ant, so is ␥n共C兲. Why Bn is called a curvature is discussed in
␥n = i 具n共R共t兲兲兩 兩n共R共t兲兲典dt. 共4兲
0 dt the following. Also, note that the dimensions of Bn are 关R兴−2,
where 关R兴 is the dimension of R.
The key point is that ␥n is purely geometrical, independent of It thus follows that the Berry curvature is an intrinsic
how slowly the loop in R space is traversed. To see this, we property of the way in which the entire ray in Hilbert space
write associated with 兩n共R兲典 twists and turns as R is varied. An
d ⳵ dRi dR extremely interesting question now arises. If we think of Bn
兩n共R共t兲兲典 = 兺 兩n共R兲典 = ⵱R兩n共R兲典 · , 共5兲 as a magnetic field, what are the sources of this field? Equa-
dt i ⳵ R i dt dt tion 共11兲 shows that ⵱R · Bn共R兲 = 0 just as for a true magnetic
where we have adopted three-dimensional vector notation in field, so the sources must have physical significance. To find
the last form. It is further convenient to put the gradient them, we need to write Bn in two other forms. We first note
operator inside the ket and write that we may also write 共employing an obvious abbreviated
notation兲
⵱R兩n共R兲典 ⬅ 兩⵱Rn共R兲典. 共6兲
An = − Im具n兩⵱n典. 共13兲
By substituting this result into Eq. 共4兲, we obtain The imaginary part restriction can be understood as follows.

␥n = i 冕0
T
具n共R兲兩⵱Rn共R兲典 ·
dR
dt
dt. 共7兲
Since 兩n共R兲典 is normalized for all R, applying the gradient to
the relation 1 = 具n 兩 n典 gives
0 = ⵱具n兩n典 = 具⵱n兩n典 + 具n兩⵱n典. 共14兲
But now we can cancel the dt’s and write ␥n purely in terms
of an integral in parameter space, Here, 具⵱n兩 stands for ⵱具n兩 in analogy to Eq. 共6兲. More ex-
plicitly, let 兩m典 be a complete set of fixed 共R-independent兲
␥n共C兲 = i 冖 具n共R兲兩⵱Rn共R兲典 · dR. 共8兲 basis states. Then,
兩n共R兲典 = 兺 cm共R兲兩m典,
C
cm共R兲 = 具m兩n共R兲典. 共15兲
We show the dependence of ␥n on the loop in the R space m

explicitly in Eq. 共8兲. Therefore,


The second point is that ␥n cannot be gauged away. If we
multiply 兩n共R兲典 by exp共i␣共R兲兲, where ␣共R兲 is single-valued, 兩⵱n典 = 兺 ⵱ cm共R兲兩m典. 共16兲
a term i⵱R␣共R兲 is added to the integrand for ␥n, but this m

term integrates to zero. This point can be stated in a more Similarly,


familiar language if we introduce the vector-potential-like
object, 具⵱n兩 = 兺 ⵱ cm
* 共R兲具m兩. 共17兲
m
An共R兲 = i具n共R兲兩⵱Rn共R兲典. 共9兲
The two terms on the right-hand side of Eq. 共14兲 are seen to
Equation 共7兲 then resembles the Aharonov–Bohm phase for a be complex conjugates, from which it follows that each of
particle moving around a closed loop in a magnetic field them is pure imaginary, and Eq. 共13兲 follows in turn. Equa-
described by a vector potential An共R兲, tions 共9兲 and 共13兲 then show that ␥n共C兲 is real, as it should

662 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 662
be. It follows that the Berry potential and curvature are also
real.
The curl of Eq. 共13兲 yields
H= 冉 H␣␣共R兲 H␣␤共R兲
H␤␣共R兲 H␤␤共R兲
. 冊 共23兲

Bn = − Im具⵱n兩 ⫻ 兩⵱n典 共18兲 Naturally, H␤␣共R兲 = H␣␤* 共R兲. For the eigenvalues of this ma-
trix to be equal, it must be similar to an identity matrix
since ⵱ ⫻ 兩⵱n典 = 0. This is the first form for Bn. It is useful 共times a constant兲. In other words, we must satisfy the three
for calculations, and it also shows that Bn is explicitly gauge conditions
invariant. For if we change 兩n典 to ei␣兩n典, the additional terms
H␣␣共R兲 = H␤␤共R兲,
involving ⵱␣ vanish due to Eq. 共14兲. Lastly, it also shows
that ⵱ · Bn = 0.
To obtain the second form for Bn, let us insert a resolution Re H␣␤共R兲 = 0, 共24兲
of unity as a sum over the complete set of snapshot basis
states in Eq. 共18兲. This gives Im H␤␣共R兲 = 0,

Bn = − Im 兺 具⵱n兩n⬘典 ⫻ 具n⬘兩⵱n典. 共19兲


which requires, in general, that at least three tunable param-
eters be available. If H␣␤共R兲 is real, at least two parameters
n⬘⫽n
are needed. More formally, the codimensions of a degeneracy
The term with n⬘ = n has been omitted from the sum, as it has are 3 and 2 for the two cases, respectively. In particular, for
no imaginary part. To find 具n⬘ 兩 ⵱n典, let us take the gradient three-dimensional R, and a complex Hermitian Hamiltonian,
of Eq. 共1兲 and project onto 兩n⬘共R兲典. This yields degeneracies will occur only at isolated points in the
R-space.
具n⬘兩 ⵱ H兩n典 + 具n⬘兩H兩⵱n典 = 具n⬘兩 ⵱ En兩n典 + 具n⬘兩En兩⵱n典. The previous argument implicitly assumes that there is no
共20兲 symmetry which ensures that H␣␤共R兲 vanishes for general R.
It does not, however, preclude the existence of a symmetry at
We invoke 具n⬘兩H = En⬘具n⬘兩 and simplify and obtain the degeneracy point itself.
具n⬘兩 ⵱ H兩n典
具n⬘兩⵱n典 = 共n⬘ ⫽ n兲. 共21兲
E n⬘ − E n D. The diabolo
Feeding this result into Eq. 共19兲 leads to the second form The simplest and most generic degeneracy involves just
具n兩 ⵱ H兩n⬘典 ⫻ 具n⬘兩 ⵱ H兩n典 two states. It follows from Eq. 共22兲 that near the degeneracy
Bn = − Im 兺 共En⬘ − En兲2
. 共22兲 point, we may ignore all other states and truncate the Hamil-
n⬘⫽n tonian to a 2 ⫻ 2 matrix. 关Or, we can invoke the argument
used to arrive at Eq. 共23兲.兴 Without any loss of significance,
This form shows that Bn is singular at points of degeneracy
we can shift the origin of R to the degeneracy, shift and scale
in parameter space where the energy denominators vanish
the units of energy, and rotate and scale axes in R so that the
since the off-diagonal matrix elements of ⵱H will generally
Hamiltonian reads

冉 冊
not vanish at the same points. These points are like magnetic
monopole sources of B. They are not the only sources be- 1 Z X − iY
cause ⵱ ⫻ B ⫽ 0, so there must also be currents flowing H=− . 共25兲
2 X + iY − Z
through the parameter space. They are the most interesting,
however, as there are strong topological constraints on them. Here, X, Y, and Z are the components of R. This form is the
most general because the off-diagonal elements must be
complex conjugates and is independent of the diagonal ele-
ments, which can be taken to add to zero by a shift in the
C. Codimensions of degeneracies zero of energy. Equation 共25兲 is the Hamiltonian of a spin
− 1 / 2 in a magnetic field. If the energy levels are denoted by
The first problem that therefore arises is to find an R E⫾ = ⫾ 兩R兩 / 2, then it is easy to show that
where a degeneracy exists. It is not immediately obvious that
such points are rare. At first sight, the condition E1共R兲 R
B+ = − B− = − . 共26兲
= E2共R兲 would seem to require the variation of just one pa- 2R3
rameter, and so if R lives in a three-dimensional space, de-
共The derivation involves simple Pauli matrix algebra and is
generacies would seem to lie on two-dimensional surfaces.
given by Berry.1兲
This conclusion is incorrect. A classic theorem due to von
Degeneracies of the type just discussed have been termed
Neumann and Wigner28 and Teller29 states that to find a
diabolical points by Berry and Wilkinson32 because the en-
double degeneracy other than one allowed by a symmetry of
ergy surfaces as a function of X and Z form a double cone,
the Hamiltonian, we must tune two parameters if the Hamil-
which reminded them of a yo-yo-like Italian toy called the
tonian is real symmetric, and three if it is complex Hermit-
diabolo. At one time, the term conical intersections was used
ian. We give Teller’s argument for the latter case.30,31 Let us
共see the title of Ref. 8, for example兲, but it has fallen out of
seek a degeneracy between two states 兩1共R兲典 and 兩2共R兲典.
favor.33 We shall refer to all double degeneracies as diaboli-
Suppose that the states 兩n共R兲典, n 艌 3, orthogonal to the first cal even when the energy surfaces are of different form.
two are already known. Let 兩␣共R兲典 and 兩␤共R兲典 be two fixed The field 共26兲 is that of a monopole at R = 0. Away from
states orthogonal to each other and to 兩3共R兲典 , 兩4共R兲典 , . . .. The the monopole, ⵱ · B+ = 0. To find the strength of the mono-
problem of finding the energy eigenstates 兩1共R兲典 and 兩2共R兲典 pole, we find the flux over any closed surface surrounding it.
then reduces to diagonalization of the 2 ⫻ 2 matrix If we choose a sphere 共simplest兲, we obtain

663 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 663
Q+ = −
1
2␲
冕冕 −R
2R3
· dS = 1. 共27兲
1
The prefactor of −1 / 2␲ is conventional.

E. The Chern number 2


M
The result 共27兲 illustrates one of the key properties of the 3
Berry phase. It is a remarkable fact that the monopole
strength,

Qn = −
1
2␲
冗 Bn共R兲 · dS, 共28兲 4

must be an integer 共known as the Chern number兲 for any n


共that is, for any of the snapshot states兲 and for any surface. Fig. 1. Why the Chern number is an integer. An initially infitesimal loop 1
Secondly, for the states involved in any degeneracy, is expanded to cover more and more of the surface 共loops 2 and 3兲 surround-
ing the degeneracy 共M兲 until it covers essentially the entire surface 共4兲. The
兺n Qn = 0. 共29兲 Berry phase, given by the flux through the loop grows from 0 to an integer
multiple of 2␲ because in the final configuration 共4兲, adiabatic transport of
the wave function around the loop must not lead to any change in the wave
These facts clearly hold for the simple example we have function.
discussed. Another example 共also given by Berry兲 for which
they are again easily verified is
H = − ␮J · H, 共30兲 singularity at one point. By joining together the singular
points on every surface surrounding the monopole, we obtain
where ␮ is a magnetic moment, J is a 共dimensionless兲 spin-j the famous Dirac string. This singularity can be moved
angular momentum and H is a 共true兲 magnetic field. In this around by changing the gauge, but it cannot be completely
case, eliminated.
H Let us now consider the loop C when it has been shrunk to
Bm共H兲 = − m , 共31兲 an infinitesimal one around the string. Then, by the argument
H3 just given,
where m = −j , −j + 1 , . . . , j. We now get Qm = 2m, which is an
integer as promised.
It should be noted that the Chern number is dimensionless,
␥n共C兲 = 冗 S
Bn · dS = − 2␲Qn . 共32兲

irrespective of the dimensions of R. In the example 共30兲, R But the string is a fiction; it is not a physical object. And it is
is a real magnetic field, and the Berry magnetic field 共or also obvious that adiabatic transport around an infinitesimal
curvature兲 has dimensions of the inverse square of the real loop cannot really change the state. Therefore, it must be that
magnetic field. The flux of the former through a two- the phase is unobservable 共even by interferometric means兲,
dimensional surface in the space of the latter is therefore and we must have
dimensionless. In many examples and applications of the
Berry phase, the parameter is a magnetic field, and keeping ei␥n共C兲 = 1, 共33兲
these points in mind helps distinguish the Berry magnetic
which implies that
field from the true one.
We now discuss why the Chern number must be an inte- Qn = integer. 共34兲
ger. The argument is basically the same as that given by
Dirac in his proof that the existence of a 共true兲 magnetic
monopole implies the quantization of electric charge.34 The F. Analyticity of adiabatic wave functions
first point is that the vector potential describing the mono-
pole must be singular at at least one point on any surface An issue closely related to the singularity of An is that it is
surrounding the monopole. Let us consider an infinitesimal not possible to write a single expression for the snapshot
disk shaped patch on the surface and suppose that A is non- basis 兩n共R兲典 in a way that is nonsingular everywhere in R.
singular on it. The flux through this patch is given by the line Take, for example, the Hamiltonian 共25兲. If we introduce
integral of A over C, the loop bounding the patch. We now spherical polar coordinates in R-space 共Z = R cos ␪, X
make C bigger and assume that no singularities of A are = R sin ␪ cos ␸, Y = R sin ␪ sin ␸兲, we find that one choice for
encountered 共see Fig. 1兲. The flux through the loop will the state 兩− , R典 is

冉 冊
grow. If we keep making the patch bigger and bigger until it
essentially becomes the entire surface, C will become an cos 21 ␪
兩− ,R典 = . 共35兲
infinitesimal loop on the opposite side of the surface from ei␸ sin 21 ␪
where we started. Since the flux through the patch is now
essentially equal to the total flux emanating from the mono- The term ei␸ sin 21 ␪ is singular at the south pole, and if we
pole, and the length of the loop is very small, A must be very calculate A−, we will discover a Dirac string there. We can
large in magnitude. As the loop length shrinks to zero, A multiply this state by a globally analytic phase factor ei␣共R兲,
must diverge. It is, of course, possible for A to be singular in but if we are to eliminate the singularity at the south pole, we
other ways, and the argument we have given concentrates the must have ␣共R兲 = −␸共R兲 + ␣⬘共R兲, where ␣⬘共R兲 is nonsingu-

664 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 664
lar, but now the other element of the column vector is singu- n̂ = ẑ + ␬1xx̂ + ␬2yŷ. 共38兲
lar at the north pole.
We note in passing that Eq. 共35兲 gives the spin-coherent Therefore,
state for a spin− 21 particle with maximal spin projection dn̂ dn̂
along the direction 共␪ , ␸兲. Our argument shows that a single = ␬1x̂, = ␬2ŷ 共39兲
analytic expression cannot cover the entire sphere. The mod- dx dy
ern approach is to divide the sphere into two patches, one and
surrounding each pole, and extending past the equator into
the other hemisphere up to some latitude short of the other dn̂ dn̂
⫻ = Kẑ. 共40兲
pole. We can then define states analytic in each patch, and dx dy
related by a gauge transformation 共or transition function兲 in
the overlap of the two patches. Requiring the gauge transfor- The similarity between this equation and Eq. 共18兲 is why Bn
mation to be analytic is another way of seeing that the Chern is called a curvature.35 Further, the quantization of the Chern
number must be quantized. number is analogous to the Gauss–Bonnet theorem, accord-
The need for more than one coordinate patch also shows ing to which the integral of the Gaussian curvature over any
up in an older argument of Herzberg and Longuet-Higgins5,6 closed surface equals 2␲ times the Euler characteristic of
concerning real symmetric Hamiltonians. They proved that if that surface.36 We recall that the latter depends only on the
the adiabatic wave function of a state reverses sign as a topology of the surface: it is 2 for a sphere, 0 for a torus, −2
closed contour is traversed, that contour necessarily contains for a sphere with two handles, and so on. The Chern number
a degeneracy. The conditions of this theorem are met in ex- is similarly topological.
ample 共25兲 if we set Y = 0. Then under a circuit enclosing the
origin in the XZ plane, the Berry phase is ⫾␲ because the
flux of B+ or B− through a hemispherical surface 共or one with
the topology of a hemisphere兲 is half the flux through a III. THE EXAMPLE
closed surface by symmetry, and thus equal to ⫾␲. Since The example Hamiltonian we study is
e⫾i␲ = −1, the theorem is verified. To see this explicitly, we
can use the state 共35兲 and see how it changes as we go in a H̄ = k共1 − Jz2兲 − g␮BJ · H. 共41兲
circle in the x-z plane. Suppose we start along the +z axis, so
the initial state has the bra vector 共1 0兲. We go clockwise, so It describes a spin− 1 degree of freedom, such as a magnetic
that x starts out becoming positive. That is, ␪ increases and ion in a solid. J = 共Jx , Jy , Jz兲 are dimensionless spin− 1 opera-
␸ = 0, and the state is 共cos 21 ␪ sin 21 ␪兲. As we approach the −z tors, g is a g-factor, ␮B is the Bohr magneton, and H is an
axis, ␪ → ␲, so the state approaches 共0 1兲. As the −z axis is external magnetic field. We imagine that because of the solid
crossed, x becomes negative, ␸ jumps to ␲, so the state must environment, different spin orientations are not equal in en-
be taken in the form 共−cos 21 ␪ − e−i␸ sin 21 ␪兲 ergy and k is a constant that describes this anisotropy. We
= 共−cos 2 ␪ sin 2 ␪兲 to maintain continuity at ␪ = ␲. As we keep
1 1 take k ⬎ 0, which makes the anisotropy of the easy axis or
going around the circle, ␪ decreases, until it approaches 0 as Ising type. Our goal is to find how the eigenstates of H̄
we return to the +z axis. The state however returns to 共−1 0兲, change as H is varied and thus find the Berry curvature
showing that the sign has reversed. B共H兲. The role of the parameter R in Sec. II is now played
We note that the sign need not change for degeneracies by H, which is also three dimensional.
with higher Chern numbers, but a globally analytic wave To avoid clutter in the formulas, we measure energy in
function is still not possible. units of k, define H = H̄ / k, and the scaled field
R = 共g␮B/k兲H = 共X,Y,Z兲. 共42兲
G. Why “curvature”? This notation makes it easy to apply the formulas of Sec. II.
Because H̄ is rotationally symmetric about the z axis, it
Next, we explain why Bn is called a curvature by making suffices to solve the eigenvalue problem for R in the x-z
an analogy with curved surfaces. Let us consider an arbitrary plane, that is, set Y = 0. In the standard Jz basis, the Hamil-
point on an ordinary surface embedded in three-dimensional tonian matrix is then
Euclidean space. Let us choose a coordinate system with its

冢 冣
origin at this point, and with the outward normal n̂ aligned X
− 0
with the z axis. Further, let us align the x and y axes with the −Z
冑2
two directions of principal curvature. Then, near the origin,
the equation of the surface is given by X X
H= − 1 − 共43兲
冑2 冑2 .
z = − 21 共␬1x2 + ␬2y 2兲, 共36兲
X
where ␬1 and ␬2 are the principal curvatures. Their product 0 −
冑2 Z
gives the Gaussian curvature, K, of the surface at the point in
question, There are three diabolical points in the magnetic field
K = ␬ 1␬ 2 . 共37兲 space, all on the z axis. When Z = 1, the states |0典 and 兩−1典 are
degenerate, where 兩m典 denotes the eigenstate of Jz with ei-
But, we can also derive K as follows. For very small x and y, genvalue m. Likewise, when Z = −1, the states |0典 and |1典 are
the normal to the surface is given by degenerate. Finally, when Z = 0, the states 兩 ⫾ 1典 are degener-

665 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 665
ate. The first two diabolical points are of the simplest type, 兩− 典 = cos 21 ␨兩1*典 + sin 21 ␨兩− 1*典, 共51兲
with Q = ⫾ 1. It is the third we wish to focus on, because it
has Q = ⫾ 2. 兩+ 典 = sin 21 ␨兩1*典 − cos 21 ␨兩− 1*典. 共52兲
Our goal, therefore, is to find the states and energies by
perturbation theory when both X and Z are small. As we shall The key point is that on the right-hand side we must use the
see in the following, we need the states up to first order and first-order states 兩 ⫾ 1*典 from Eq. 共45兲, and not the bare states
the energies up to second order in the perturbation. That we 兩 ⫾ 1典. One way to see this is that otherwise 兩 ⫾ 典 would not
have two small parameters in which we may expand would be orthogonal to 兩0*典. 共A more systematic way is given in the
appear to be an advantage, but the difficulty is that the de- suggested exercises.兲
generacy of the states 兩 ⫾ 1典 is broken only in second order in Combining Eqs. 共45兲 and 共52兲, we obtain the states in the
X, and it does not pay to assume X Ⰶ Z or Z Ⰶ X as we will original Jz basis. To save writing, we introduce the notation
eventually need to consider all orientations of R around R
= 0. c = cos 21 ␨, s = sin 21 ␨ . 共53兲
To first order in X and Z, the states are 共we denote the
Then,
perturbative state developing from 兩m典 by 兩m*典兲
X
兩− 典 = c兩1典 +
冑2 共c + s兲兩0典 + s兩− 1典, 共54兲
X
兩1*典 = 兩1典 +
冑2 兩0典,
X X
兩0*典 = −
冑2 兩1典 + 兩0典 − 冑2 兩− 1典, 共55兲
X
兩0*典 = 兩0典 − 共兩1典 + 兩− 1典兲, 共44兲
冑2
X
兩+ 典 = s兩1典 −
冑2 共c − s兲兩0典 − c兩− 1典. 共56兲
X
兩− 1*典 = 兩− 1典 + 兩0典,
冑2
For completeness, we also give E0 to second order
and the energies are
E0 = 1 + X2 . 共57兲
E0 = 1, E⫾1 = ⫿ Z. 共45兲
We now have all the ingredients needed to calculate the
Because Z is assumed small, however, the degeneracy of
Berry curvatures B⫾ and B0. We calculate B+ using Eq. 共18兲
兩 ⫾ 1典 is essentially not resolved, and the next order of per-
below and using Eq. 共22兲 in Appendix B.
turbation theory will mix these states strongly. Thus, the pre-
To use Eq. 共18兲 we need to find 兩⵱+典, for which we need
vious results for 兩 ⫾ 1*典 and E⫾1 are not of much use. The |⫹典 at points outside the x-z plane. To this end, let us intro-
correct procedure is to diagonalize the second-order secular duce the azimuthal angle ␸ in the x-y plane such that ␸ = 0 on
matrix added to the first-order one.23 We reprise the main the x axis, and jumps from +␲ to −␲ as we cross the −x axis
formula for a general situation. Let n, n⬘, n⬙, etc., label a in the anticlockwise sense. Then, since
group of states that remain degenerate or nearly so to first
order. Let the perturbation be denoted by V. Then up to sec- e−iJz␸JxeiJz␸ = cos ␸Jx + sin ␸Jy , 共58兲
ond order, the secular matrix is given by
it follows that
VnmVmn⬘
共2兲
Vnn⬘ = Vnn⬘ + 兺 En − Em
. 共46兲 H共X,Y,Z兲 = e−iJz␸H共R⬜,0,Z兲eiJz␸ , 共59兲
m⫽n,n⬘,. . .
where R⬜ = 共X + Y 兲 . The energy eigenstates for Y ⫽ 0 can
2 2 1/2

The sum excludes not only the states n and n⬘, but all states thus be obtained by acting on those for Y = 0 with the opera-
in the 共nearly兲 degenerate group, so the energy denominator, tor e−iJz␸. The energies are, of course, unchanged. In this way
which is formed from the unperturbed energies, never be- we get
comes small or zero. In our case the secular matrix is easily
R⬜
兩+ 典 = se−i␸兩1典 − i␸
冑2 共c − s兲兩0典 − ce 兩− 1典. 共60兲
found to be

V共2兲 = − 21 X21 + 冉 −Z
− 21 X2
− 1 2
2X
Z
冊 . 共47兲 Taking the gradient now gives
具1兩⵱+ 典 = 共− is ⵱ ␸ + 21 c ⵱ ␨兲e−i␸ , 共61兲
The eigenvalues of V共2兲 give the energies of the states to
second order. We have
1 R⬜
具0兩⵱+ 典 = − 共c − s兲 ⵱ R⬜ + 共c + s兲 ⵱ ␨ , 共62兲
E⫾ = − 21 X2 ⫾ D, 共48兲 冑2 2 冑2
where the state labels have been changed to ⫹ and ⫺, and
where 具− 1兩⵱+ 典 = − 共ic ⵱ ␸ − 21 s ⵱ ␨兲ei␸ . 共63兲
D = 共Z2 + 1 4 1/2
4X 兲. 共49兲 The contributions to Im具⵱+兩 ⫻ 兩⵱+典 from the various 兩m典
The states themselves are the eigenvectors of V . Writing 共2兲 states may now be calculated and are

Z = D cos ␨, 1 2
= D sin ␨ , 共50兲 m = 1: cs ⵱ ␸ ⫻ ⵱␨ , 共64兲
2X

we have m = 0: 0, 共65兲

666 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 666
m = − 1: cs ⵱ ␸ ⫻ ⵱␨ . 共66兲 R⬜
兩+2典 = se−i␸兩1典 − i␸
冑2 共c − s兲兩0典 − ce 兩− 1典. 共77兲
Thus,
The form 兩+1典 only applies when R is in the x-z plane, while
B+ = − 2cs ⵱ ␸ ⫻ ⵱␨ . 共67兲
兩+2典 applies for all R. Let us now consider two points in the
It is enough to evaluate this in the x-z plane. Near this plane, x-z plane at the same value of Z ⫽ 0, but opposite values of
␸ ⬇ Y / X, so on it, X, and call them A and B. Let X ⬎ 0 at A, so that at A, 兩+2典
= 兩+1典. If we employ 兩+2典 and go from A to B via a 180°
1 rotation about ẑ, we get −兩+1典, with an extra minus sign. To
⵱␸ = ŷ. 共68兲 avoid this sign, we can take the wave function as
X
R⬜
Further, since 2cs = sin ␨, 兩+3典 = s兩1典 − ei␸ 2i␸
冑2 共c − s兲兩0典 − ce 兩− 1典, 共78兲
Z X4ẑ − 2ZX3x̂
2cs ⵱ ␨ = − ⵱共cos ␨兲 = − ⵱ = . 共69兲 which is identical to 兩+1典 in the x-z plane and applies for all
D 4D3
R.
Hence, Both 兩+2典 and 兩+3典 are singular at both poles, illustrating
the general comments in Sec. II F. Readers are invited to find
X2 the corresponding Berry potentials and see how these singu-
B+ = 共Xx̂ + 2Zẑ兲. 共70兲 larities show up there.
4D3
We can also try and execute a Herzberg and Longuet-
We stress that this formula is only valid sufficiently close to Higggins circuit in the x-z plane because the Hamiltonian is
the degeneracy at R = 0. We leave it to the reader to verify then always real. The form 兩+1典 is the one to use. As in Sec.
that B0 = 0 and B− = −B+. II F, we go around in a clockwise circle starting on the z axis.
We can now find the Chern number Q+ for |⫹典, that is, the On this axis, 兩+1典 = −兩−1典. As we keep increasing X, the state
flux of B+ through a surface surrounding the origin. We take changes until at A it has the form
the surface to be a cylinder with axis along ẑ, of radius R, 兩+1共A兲典 = a兩1典 + b兩0典 + c兩− 1典, 共79兲
and extending from Z = −L to Z = L. Denoting the distance
from the z axis by r, we find the contribution to Q+ through with some coefficients a, b, and c. When we reach the −z
the top end of the cylinder to be axis, ␨ = ␲, so the state is |1典. There is no jump in the form of
兩+1典 as we cross this axis. Since ␨ has the same value at A
Q+,top = −
1
2␲
冕 R

0
r 2L
2共L2 + 41 r4兲3/2
2␲rdr. 共71兲 and B, at B 兩+1典 has the form
兩+1共B兲典 = a兩1典 − b兩0典 + c兩− 1典, 共80兲
If we change the variable of integration to r / 4, the integral 4
and it returns to −兩−1典 as we return to the z axis. In other
can be easily done and yields
words, there is no sign reversal, consistent with Q+ = −2.
L There is no contradiction with the general theorem because
Q+,top = − 1 + . 共72兲 sign reversal is only a sufficient condition for there to be a
共L 2
+ 41 R4兲1/2 degeneracy inside the circuit.
The contribution from the bottom of the cylinder is the same
by symmetry. From the sides of the cylinder, we get

冕 L
IV. MAGNETIC MOLECULAR SOLIDS
1 R3
Q+,sides = − 2␲RdZ. 共73兲
2␲ −L 4共Z2 + 41 R4兲3/2 Spin Hamiltonians of the same general flavor as discussed
in Sec. III arise in many magnetic molecular solids. These
This integral is also elementary and yields systems have been intensively studied in the past decade or
so.37 Broadly speaking, these are molecular solids of organic
Q+,sides = − 冏共 Z + 2
Z
4R 兲
1 4 1/2 冏 L

−L
=−2
L
共L2 + 41 R4兲1/2
. 共74兲
molecules in which there is a core of magnetic ions 共Mn3+,
Fe2+, etc.兲, giving a net spin 共and magnetic moment兲 to the
entire molecule. The magnetic interactions between the mol-
Adding up all the pieces, we get, as advertised, ecules are weak and may be neglected so that one is justified
in studying the one-body or single molecule problem. The
Q+ = − 2. 共75兲 solid state environment is anisotropic, giving rise to Hamil-
tonians such as Eqs. 共41兲 and 共81兲.
Again, we leave it to the reader to verify that Q0 = 0 and It is not the purpose of this paper to discuss the many
Q− = 2. fascinating physical phenomena that these systems display.
We now discuss the analyticity of the state |⫹典 in the They are mentioned here because diabolical points have been
R-space. We reproduce the two wave functions 共56兲 and 共60兲 experimentally observed in several such solids. The best
for this state for ready reference: studied material is based on the spin 10 molecule
关共tacn兲6Fe8O2共OH兲12兴8+ 共abbreviated to Fe8兲 in which a
兩+1典 = s兩1典 −
X whole array of such points is seen.38,39 An approximate
冑2 共c − s兲兩0典 − c兩− 1典, 共76兲
model Hamiltonian for this system is

667 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 667
Hz 2 ⫻ 2 block is identical to Eq. 共47兲. The eigenvectors of
this block must naturally be written as linear combina-
tions of 兩 ⫾ 1*典, yielding Eq. 共52兲.
共3兲 Find the codimension of a triple degeneracy using both
Teller’s argument and that in Appendix A. Do this for the
4 3 2 1
Hx
real symmetric and complex Hermitean cases separately.
共4兲 The Hamiltonian 共43兲 also has degeneracies at Z = ⫾ 1,
X = Y = 0. Show that these degeneracies are of the simple
diabolical type and find the associated Berry curvatures
and Chern numbers.
共5兲 Consider the Hamiltonian 共43兲 for 兩R兩 Ⰷ 1 and find the
Berry curvature of the highest energy level by treating
Fig. 2. Diabolical points for the Hamiltonian 共81兲 for J = 7 / 2. All points on the 共1 − Jz2兲 term as a perturbation. 共It will pay to rotate
the outermost rhombus are singly diabolical, those on the next one are the coordinate system so that the z axis is along R and to
doubly diabolical, and so on. The origin is quadruply diabolical.
use symmetry.兲 Find the Chern number by integrating
the curvature so found over a sphere with 兩R兩 Ⰷ 1. Is your
answer the same as that found by adding the Chern num-
bers for the same level around the degeneracies in prob-
H = − k2Jz2 + 共k1 − k2兲J2x − g␮BJ · H, 共81兲 lem 共4兲? Is it the same as for the highest level of the
in which k1 ⬎ k2 ⬎ 0 are measured anisotropy energies, and g Hamiltonian 共30兲? If yes, why, and if not, why not?
and ␮B are the g-factor and Bohr magneton. This model pos- 共6兲 共More difficult兲. Add to the Hamiltonian 共43兲 another
sesses a remarkable set of diabolical points in the Hx-Hz term
plane 共see Fig. 2兲. The points lie on a series of concentric H⬘ = k⬘共J2x − J2y 兲, 共83兲
rhombi, forming a perfect centered rectangular lattice.40 All
the diabolical points are of the simplest type with Chern with k⬘ ⬎ 0. If you perform second-order perturbation
numbers ⫾1. However, many of the points are multiply dia- theory as in Sec. III with k⬘ as an additional small pa-
bolical; that is, more than one pair of levels is simultaneously rameter, you should discover the following condition for
degenerate at the same value of Hx and Hz. The diabolical diabolicity,
points on the Hx or Hz axes can be understood in terms of
symmetry, but the others cannot. For a given spin magnitude Z = 0, X2 + Y 2 = 冑2k⬘ . 共84兲
J, there are
2 But this cannot be correct. It violates the von Neumann–
3 J共J + 1兲共2J + 1兲 共82兲 Wigner–Teller theorem on the codimension of a double
diabolical points in all. It is tempting to speculate that the degeneracy, as the total Hamiltonian is not invariant
Hamiltonian possesses an additional “hidden” symmetry, but about the z-axis rotations. The problem might be re-
that is so far unproven. solved by higher order perturbation theory, but that is
A more accurate model for Fe8 includes a correction term rather difficult. Solving the characteristic equation 共a cu-
to Eq. 共81兲 that is proportional to 共J+4 + J−4兲. This term destroys bic兲 is also very difficult. A better approach is as follows.
the beautiful lattice structure we have described, but it gives Rewrite the Hamiltonian on the Jx basis 共or, equivalently,
rise to other equally beautiful phenomena. For example, as rotate by 90° about ŷ兲 and set Y = Z = 0. All three eigen-
the strength of this term is varied, diabolical points merge values are now easily found and you should find a de-
and resplit,41–43 but the total number of points in the three- generacy at
dimensional H space does not change. Alas, the X* = 关2k⬘共1 + k⬘兲兴1/2 , 共85兲
experiments38 can see only a handful 共15–20兲 of the 1540
predicted by theory! with an energy E* = −k⬘. This result is exact, and the
Some of these features are explored for J = 1 in problems degeneracy is guaranteed to be an isolated point by the
共6兲 and 共7兲. theorem on codimensions. 共a兲 Is the degeneracy so found
allowed by a symmetry of the Hamiltonian? 共b兲 Where is
the degeneracy when k⬘ ⬍ 0? 共c兲 Draw the degenerate
V. SUGGESTED PROBLEMS manifold in the k⬘, X, Y space with Z = 0. Is the theorem
on codimensions of degeneracies being violated?
共1兲 Since the integral of the approximation 共70兲 for B+ over 共7兲 共More difficult still兲. This problem is for readers not sat-
the cylinder is independent of the dimensions of the cyl- isfied that the degeneracy point in problem 共6兲 is iso-
inder, this approximation must be divergence-free. Verify lated. Do not set Y and Z to zero, but treat them as
directly that ⵱ · B+ = 0. perturbations along with ␦X = X − X*. Do degenerate per-
共2兲 Equation 共45兲 defines a unitary transformation whose turbation theory in the space of the crossing energy lev-
matrix elements are Um⬘m = 具m⬘ 兩 m*典. Construct the els. You should find that the energies are given by
Hamiltonian in the 兩m*典 basis by calculating UHU† and
E⫾ = E* + a共␦X兲 ⫾ 共b共␦X兲2 + cY 2 + dZ2兲1/2 , 共86兲
neglecting terms higher than second order in X and Z.
Show that the transformed Hamiltonian is block diagonal where a, b, c, and d are constants, all of which except a
with m* = 0 being one 共1 ⫻ 1兲 block, and m* = 1 and are positive. This is the characteristic form of the
m* = −1 forming a 2 ⫻ 2 block. You should find that the diabolo.

668 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 668
ACKNOWLEDGMENT − 4 free parameters. The third vector has 2n − 6 free param-
eters, and so on, until we come to the third last eigenvector
This work was supported in part by the NSF via Grant No. which has 4 free parameters. There is no freedom to choose
PHY-0854896. the last two eigenvectors because they span the degenerate
space, and any linear combination is equally good. Thus, the
APPENDIX A: ALTERNATIVE ARGUMENT FOR number of parameters we may vary in specifying the eigen-
THE CODIMENSION OF A DIABOLO vectors is

The argument given in Sec. II C requires one to use a 2共n − 1兲 + 2共n − 2兲 + ¯ + 4 = 21 共n − 2兲共2n − 2 + 4兲
representation for the Hamiltonian in which all but two of = n2 − n − 2. 共A2兲
the off-diagonal elements vanish. Many people find this un-
settling because it seems to imply that we know how to solve Next, let us consider the eigenvalues. There are n − 2 nonde-
the eigenvalue problem in the first place. We therefore give generate eigenvalues, and one degenerate eigenvalue, lead-
an alternative argument, which extends Arnold’s proof30 to ing to n − 2 + 1 = n − 1 free parameters. Thus, the dimensional-
the case of a complex Hermitian matrix. ity of the space of matrices with one degeneracy, which is the
Let the matrix be of order n. The general Hermitian matrix total number of parameters that may be varied freely without
of this order has n real numbers on the diagonal, and 共n2 destroying the degeneracy is
− n兲 / 2 pairs of complex conjugate numbers off the diagonal. 共n2 − n − 2兲 + 共n − 1兲 = n2 − 3. 共A3兲
The total number of real numbers needed to specify the ma-
trix is therefore Hence, the codimension of the degeneracy, the number of
parameters that must be tuned, is n2 − 共n2 − 3兲, which is equal
1 to 3, as found in Sec. II C.
n + 2 ⫻ 共n2 − n兲 = n2 . 共A1兲
2
APPENDIX B: ALTERNATIVE CALCULATION
We can also say that the space of complex Hermitian matri- OF BERRY CURVATURE
ces of order n has dimension n2.
Let us now ask how many free parameters there are if the It is interesting to calculate the Berry curvature B+ for the
matrix is to have one double degeneracy. We first look at the example in Sec. III using Eq. 共22兲. The sum on n⬘ runs over
eigenvectors, numbering them from 1 to n, with the degen- the states 兩0*典 and |⫺典, but since E+ − E0 does not vanish at
erate ones being numbers n − 1 and n. The first eigenvector is R = 0, whereas E+ − E− does, only the term with n⬘ = − need
specified by giving 2n real numbers, but normalization and be considered as it dominates the sum. Since ⵱H = −J, we
an overall phase remove 2 of them, leaving us with 2n − 2 need the ⫹⫺ matrix element of J,
free parameters. In the same way, the second eigenvector J+− ⬅ 具+ 兩J兩 − 典. 共B1兲
also gives 2n − 2 parameters, but 2 are constrained by the
need for it to be orthogonal to the first, leaving us with 2n The matrix for the vector operator J is

冢 冣
1

冑2 共x̂ − iŷ兲 0

1 1
J = Jxx̂ + Jyŷ + Jzẑ =
冑2 共x̂ + iŷ兲 0
冑2 共x̂ − iŷ兲 . 共B2兲

1
0 共x̂ + iŷ兲
冑2 − ẑ

Therefore, feeding in Eq. 共56兲, we have

冢 冣冢
1
冑2 共x̂ − iŷ兲 0



c


J+− = s −
X
冑2 共c − s兲 − c 冊 1
冑2 共x̂ + iŷ兲 0
1
冑2 共x̂ − iŷ兲
X
冑2 共c + s兲 = 2csẑ + X共s2 − c2兲x̂ − iX共s2 + c2兲ŷ.

1 s
0
冑2 共x̂ + iŷ兲 − ẑ

共B3兲

669 Am. J. Phys., Vol. 78, No. 7, July 2010 Anupam Garg 669
Since s2 + c2 = 1, c2 − s2 = cos ␨ = Z / D, and 2cs = sin ␨ = X2 / 2D,
22
Another example discussed by Berry, which we review briefly in Sec. II,
Eq. 共B3兲 simplifies to is that of a spin-j in a magnetic field. In this case the Chern number is 2m
for the Zeeman level with spin projection along the field equal to m.
XZ X2 However, we now have a 共2j + 1兲-fold degeneracy at zero field. This state
J+− = − x̂ − iXŷ + ẑ 共B4兲 of affairs is still unsatisfactory, as the example is highly special, and we
D 2D would like a twofold degeneracy with Chern number other than ⫾1.
23
and L. D. Landau and E. M. Lifshitz, Quantum Mechanics, 3rd ed. 共Perga-
mon, New York, 1977兲, see Sec. 39, Eq. 共39.4兲 in particular.
X2 24
K. Gottfried, Quantum Mechanics 共Benjamin, Reading, MA, 1974兲, Vol.
Im共J+− ⫻ J+−
* 兲=− 共Xx̂ + 2Zẑ兲. 共B5兲 I, Chap. VI, Problem 1.
D 25
In this case we must generalize the more familiar vector calculus con-
cepts of gradient, curl, and divergence using the language of differential
Finally, since E+ − E− = 2D, we get
forms and exterior calculus. See B. Simon, “Holonomy, the quantum
X2 adiabatic theorem, and Berry’s phase,” Phys. Rev. Lett. 51, 2167–2170
B+ = 共Xx̂ + 2Zẑ兲, 共B6兲 共1983兲. A quick introduction to the mathematical language is given in the
4D3 very readable monograph by H. Flanders, Differential Forms with Appli-
cations to the Physical Sciences 共Dover, New York, 1963兲.
in agreement with Eq. 共70兲. 26
In applying Berry’s ideas to the Born–Oppenheimer approximation, there
also arises a scalar potential. See Ref. 20.
27
1
M. V. Berry, “Quantal phase factors accompanying adiabatic changes,” An analogy from spherical geometry may be useful here. It is well known
Proc. R. Soc. London, Ser. A 392, 45–57 共1984兲. that parallel transport of a vector around a geodesic triangle on the sur-
2
J. Anandan, J. Christian, and K. Wanelik, “Resource Letter GPP-1: Geo- face of the Earth does not bring one back to the original vector. The angle
metric phases in physics,” Am. J. Phys. 65, 180–185 共1997兲. by which the vector has turned is the anholonomy associated with the
3
Geometric Phases in Physics, edited by A. Shapere and F. Wilczek connection defined by parallel transport.
28
共World Scientific, Singapore, 1989兲. J. von Neumann and E. P. Wigner, “Über merkwürdige diskrete eigen-
4
S. Pancharatnam, “Generalized theory of interference, and its applica- werte,” Z. Phys. 30, 467–470 共1929兲.
29
tions,” Proc. Indian Acad. Sci., Sect. A 44, 247–262 共1956兲. E. Teller, “The crossing of potential energy surfaces,” J. Phys. Chem. 41,
5
G. Herzberg and H. C. Longuet-Higgins, “Intersection of potential energy 109–116 共1937兲.
30
surfaces in polyatomic molecules,” Discuss. Faraday Soc. 35, 77–82 For the real symmetric case a very instructive alternative proof is given
共1963兲. by V. I. Arnold, Mathematical Methods of Classical Mechanics
6
H. C. Longuet-Higgins, “The intersection of potential energy surfaces in 共Springer-Verlag, New York, 1978兲, Appendix 10. We apply the same
polyatomic molecules,” Proc. R. Soc. London, Ser. A 344, 147–156 idea to the complex Hermitian case in Appendix A.
31
共1975兲. Teller’s argument is put in a slightly different way that some readers may
7
A. J. Stone, “Spin-orbit coupling and the intersection of potential energy find more appealing in Ref. 23, Sec. 79, and Fig. 28.
32
surfaces in polyatomic molecules,” Proc. R. Soc. London, Ser. A 351, M. V. Berry and M. Wilkinson, “Diabolical points in the spectra of tri-
141–150 共1976兲. angles,” Proc. R. Soc. London, Ser. A 392, 15–43 共1984兲.
8 33
C. A. Mead and D. Trulhar, “On the determination of Born-Oppenheimer The etymology of the word diabolo is interesting and indicates that there
nuclear motion wave functions including complications due to conical is no devilish connotation to it. Professor Michael Widom, in a conver-
intersections and identical nuclei,” J. Chem. Phys. 70, 2284–2296 sation with the author a few years ago, observed the pleasing assonance
共1979兲. with the names of other conic sections. The connection may go beyond
9 the sound of the word, however. According to Wikipedia, the toy origi-
A. Tomita and R. Y. Chiao, “Observation of Berry’s topological phase by
use of an optical fiber,” Phys. Rev. Lett. 57, 937–940 共1986兲. nated in China, and a French engineer who promoted it in Europe called
10
T. Bitter and D. Dubbers, “Manifestation of Berry’s topological phase in it the diabolo because in Greek dia+ bolo would mean throw 共bolo兲
neutron spin rotation,” Phys. Rev. Lett. 59, 251–254 共1987兲. across 共dia兲. Because the hyperbola also is derived from Greek with the
11
J. Moody, A. Shapere, and F. Wilczek, “Realizations of magnetic- rough meaning of throw 共bolo兲 beyond 共hyper兲, Professor Widom was
monopole gauge fields: Diatoms and spin precession,” Phys. Rev. Lett. more correct than either of us knew.
34
56, 893–896 共1986兲. P. A. M. Dirac, “Quantised singularities in the electromagnetic field,”
12
D. Suter, G. C. Chingas, R. A. Harris, and A. Pines, “Berry’s phase in Proc. R. Soc. London, Ser. A 133, 60/1–13 共1931兲.
35
magnetic resonance,” Mol. Phys. 61, 1327–1340 共1987兲. The similarity is even stronger in the language of differential forms. We
13
D. J. Thouless, M. Kohmoto, M. P. Nightingale, and M. den Nijs, “Quan- obtain dn̂ ⫻ dn̂ = K共dx ∧ dy兲n̂, where dx ∧ dy, is the area two-form in the
tized Hall conductance in a two-dimensional periodic potential,” Phys. surface with local orthogonal coordinates x and y. See, for example,
Rev. Lett. 49, 405–408 共1982兲. Sec. 4.5 in Flanders, Ref. 25.
14 36
R. D. King-Smith and D. Vanderbilt, “Theory of polarization of crystal- A delightful discussion of this theorem is given by D. H. Gottlieb, “All
line solids,” Phys. Rev. B 47, 1651–1654 共1993兲. the way with Gauss-Bonnet and the sociology of mathematics,” Am.
15
G. Sundaram and Q. Niu, “Wave-packet dynamics in slowly perturbed Math. Monthly 103, 457–469 共1996兲.
37
crystals: Gradient corrections and Berry-phase effects,” Phys. Rev. B 59, For a comprehensive review, see D. Gatteschi, R. Sessoli, and J. Villain,
14915–14925 共1999兲. Molecular Nanomagnets 共Oxford U. P., Oxford, 2006兲.
16 38
Y. Zheng and T. Ando, “Hall conductivity of a two-dimensional graphite W. Wernsdorfer and R. Sessoli, “Quantum phase interference and parity
system,” Phys. Rev. B 65, 245420-1–11 共2002兲. effects in magnetic molecular clusters,” Science 284, 133–135 共1999兲.
17 39
V. P. Gusynin and S. G. Sharapov, “Unconventional integer quantum Hall A. Garg, “Topologically quenched tunnel splitting in spin systems with-
effect in graphene,” Phys. Rev. Lett. 95, 146801-1–4 共2005兲. out Kramers’ degeneracy,” Europhys. Lett. 22, 205–210 共1993兲.
18 40
Y. Zhang, Y.-W. Tan, H. L. Stormer, and P. Kim, “Experimental observa- E. Keçecioğlu and A. Garg, “Diabolical points in magnetic molecules: An
tion of the quantum Hall effect and Berry’s phase in graphene,” Nature exactly solvable model,” Phys. Rev. B 63, 064422-1–4 共2001兲.
41
共London兲 438, 201–204 共2005兲. E. Keçecioğlu and A. Garg, “SU共2兲 instantons with boundary jumps and
19
B. Holstein, “The adiabatic theorem and Berry’s phase,” Am. J. Phys. 57, spin tunneling in magnetic molecules,” Phys. Rev. Lett. 88, 237205-1–4
1079–1084 共1989兲. 共2002兲.
20 42
R. Shankar, Principles of Quantum Mechanics, 2nd ed. 共Springer, New E. Keçecioğlu and A. Garg, “Spin tunneling in magnetic molecules: Qua-
York, 1994兲, Chap. 21. sisingular perturbations and discontinuous SU共2兲 instantons,” Phys. Rev.
21
This potential goes by many other names, such as the Berry connection, B 67, 054406-1–13 共2003兲.
43
the geometrical vector potential, and the molecular Aharonov–Bohm po- P. Bruno, “Berry phase, topology, and degeneracies in quantum nanomag-
tential. nets,” Phys. Rev. Lett. 96, 117208-1–4 共2006兲.

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