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Dirac approximation, the correlation function can be decomposed into a parallel and perpendicular
contribution. We show that this is not possible for the hexagonal lattice even in the Dirac regime.
A comparison between the analytical isotropic solution and the numerical results for the honeycomb
lattice is given.
define the continuum model and derive the local current where c = a, b and A the area of the sample.
operator of this model. We will further show that this op- The continuous version of the Hamiltonian thus reads
erator satisfies the continuity equation with respect to the Z
density operator defined on the lattice. In section III, we H = −t d2 r a† (r)φ(−i∇)b(r) + H.c. .
(9)
will present general expressions for the current-current
correlation function and introduce the parallel and per- The gauged Hamiltonian is obtained by replacing −i∇ →
pendicular contribution defined for the Dirac model. In −i∇ + ~e A(r) (e > 0). Notice that by going back in
section IV, we summarize the analytical results and com- Fourier space, we obtain the correct Peierls substitution
pare them with the numerical results obtained from the
R R+δ
hexagonal lattice. We close with a summary and con- tR,R+δ → tR,R+δ ei ~
e
R
dlA(l)
(10)
clusions and give real expressions for the current-current
correlation function in an appendix. in the case of a gauge field which is constant over one
lattice spacing, i.e., for a spatially weakly varying field.
Because e∇·δ b(r) = b(r + δ), we can write Eq. (9) as
II. CONTINUUM MODEL AND CURRENT
OPERATOR
Z X
H = −t d2 r a† (r)b(r + δ) + H.c. .
(11)
δ
To calculate the current-current correlation function
for a lattice model for finite wave vector q, we are con- The continuous model thus consists of infinitely many
fronted with the following problem. The current operator replica of the original lattice model. The unperturbed
for a lattice model, as given by the continuity equation, Hamiltonian is homogeneous, real (not crystalline) mo-
describes the flow from site i to j per unit time.33 In or- mentum is conserved and yet, each particle is bound to
der to define a vector which depends on one lattice site hop in the replica where it lives with strict fidelity to the
instead of two, one needs to define a continuous model original lattice Hamiltonian. In particular, the lattice
based on the Hamiltonian in reciprocal space. If the vec- anisotropy is fully preserved. Also, the minimal substi-
tor potential A is a smooth function of r, then the cou- tution used to include the perturbing vector potential
pling between A and the current can only see the smooth guarantees gauge invariance to all orders.
part and the continuous limit is justified. For this model, the current can be defined by
Let us start with the tight-binding Hamiltonian of
a general bipartite lattice with Nc lattice sites R and δH
j(r) = − = jP (r) + jD (r) + O(A2 ) , (12)
nearest-neighbor lattice vectors δ: δA(r)
Xh i
H=− tR,R+δ a†R bR+δ + H.c. (3) where the diamagnetic contribution jD is linear in the
R,δ gauge field A.
For the paramagnetic operator, we obtain
The spin-index on the operators shall be suppressed
throughout this work. With the Fourier components ite X
Z 1
jP (r) = ds a† (r − sδ)b(r + (1 − s)δ) + H.c.
δ
1 X ik·R ~ 0
aR = √ e ak , (4) δ
Nc k (13)
1 X ik·(R+δ)
bR+δ = √ e bk , (5) which consists of a symmetrized version of the paramag-
Nc k netic current given in Refs.35,36 which is obtained from
this reads for tR,R+δ = t the above formula by setting s = 0.
For the diamagnetic contribution, we obtain with
(summation over j is implied)
Xh i
H = −t φ(k)a†k bk + H.c. (6)
k
δj i (r)
Z
j D,i (r) = d2 r′ Aj (r′ ) (14)
with φ(k) = δ eik·δ the complex structure factor where
P
δAj (r′ ) A=0
the sum goes over all nearest-neighbor vectors δ. Notice
that the phase factor eik·δ in Eq. (5) is important for the the following expression:
definition of the current.34
te2 X i j 1
Z
We will now define a continuous model by introducing j D,i (r) = − 2 δδ dsds′ a† (r − sδ)b(r + (1 − s)δ)
the following Fourier components ~ 0
δ
× sA (r − ss δ) + s′ Aj (r + ss′ δ) + H.c.
′
j
1
Z
ck = √ d2 re−ik·r c(r) , (7)
A (15)
1 X ik·r
c(r) = √ e ck , (8) which again resembles a symmetrized version of the dia-
A k magnetic current given in Refs.35,36 which this time is
3
obtained from the above formula by setting s = 0 and We obtain the general expression for the current-
s′ = 1. Notice that the diamagnetic current is non-local current correlation function
in the external gauge field.
In linear response, only ground-state averages enter in 2
the diamagnetic current. With the energy per bond per te −gs
Z X i,j
unit area π i,j (q, ω) = d2 k fs·s ′ (k, q)
~ (2π)2 1.BZ s,s′ =±
† s′
hbond = −2tha (r) b(r + δ)i , (16) s
nF (E (k)) − nF (E (k + q))
× , (22)
E s (k) − E s′ (k + q) + ~ω + iδ
which is independent of both r and δ, the Fourier trans-
form of the paramagnetic and diamagnetic current are
given by:
with E ± (k) = ±t|φ(k)| and nF (E) = (eβ(E−µ) + 1)−1
te X i the Fermi function.
jqP,i = φ̃ (k, q)a†k bk+q + (φ̃i (k, q))∗ b†k ak+q , (17)
~ This is the same expression as for the density-density
k
hjqD,i i = D,i,j
χq Ajq (18) correlation function of Eq. (1), but the band-overlap is
now given by
with
X δi
i,j 1 h i i
φ̃i (k, q) = ei(k+q)·δ − eik·δ , (19) f± (k, q) = Re φ̃ (k, q)(φ̃j (k, q))∗ (23)
q·δ 2
δ
φ∗ (k) φ∗ (k + q)
e2 X 4 q·δ ±Re φ̃i (k, q)φ̃j (k, q) .
χD,i,j
q = 2 hbond δi δj sin2 ( ). (20) |φ(k)| |φ(k + q)|
~ (q · δ)2 2
δ
2 !
2 (q 2 − q 2 ) h
i,i 1 3a k x y q i
f± = 1 ± (−1)δi,y 2 1 − 2 sin2 ϕ + cos ϕ , (25)
2 2 q |k||k + q| k
2
i,j 1 3a k 2 2qx qy h 2 q i
f± = ±(1 − δi,j ) 2 1 − 2 sin ϕ + cos ϕ , (26)
2 2 q |k||k + q| k
where we introduced the carbon-carbon distance a = The system linearized around the Dirac point is ro-
0.14nm. tationally invariant. We can thus decompose π i,j into
4
a longitudinal component π k and transverse component where the energy per bond per unit area of the hexagonal
π ⊥ . These are defined by Eq. (22) after substitution of lattice is given by
i,j
the overlap function f± by gs X +
E (k) nF (E − (k)) − nF (E + (k)) ,
hbond =
2 3A
k
k + q cos ϕ − 2k sin2 ϕ
k(⊥) 1 3a
f± = 1 ± (∓) . (34)
2 2 |k + q|
(27) and the band cutoff ΛE = 6t.
|q|a=0.1, µ/t=0.05
where we defined x± = 2µ±~ω
~vF q . 4
Im π (qx,qy,ω)
with the expression for the two-dimensional electron gas. i=x,qx=0,qy=q
i=y,qx=q,qy=0
For quadratic dispersion ǫk = ~2 k2 /(2m), we have 3
i=y,qx=0,qy=q
2
Im π (qx,qy,ω)
||
π
i,i
v q 2 ∓ 21 _|_
( !) π
2
e 2 µ
ω m F
π ± (q, ω) = ± 2 1− 1− , 2
i,i
~ 2π q 2π ω 1
1.9 2 2.1
ω/t
(40) 1
The lengthy expressions are given in the appendix. the imaginary part of the current-current correlation
Let us now discuss two limiting cases. For the long function Imπ i,i (qx , qy , ω) as function of the energy ~ω at
wavelength limit q → 0, we obtain kB T /t = 0.01 for different directions with |q|a = 0.1.
The results obtained from the Dirac-cone approxima-
e2 g
2µ 2µ + ~ω
±
π (q → 0, ω) = ω − + ln
tion π k (q, ω) and π ⊥ (q, ω) are also shown (dashed lines).
~ 8π ~ω 2µ − ~ω Clearly, there are strong differences for energies ~ω > t
π i
due to the van Hove singularity. The inset shows that
+ i Θ(~ω − 2µ) . (42)
2 there is a peak splitting for the different directions due
Using the RPA-approximation for the longitudinal part, to the different contributions of the three M -points, also
the above expansion leads to plasmon excitations for present in the charge response.21
which the logarithmic term is usually neglected.8,9 Due In Fig. 2, the same curves are shown, but for lower en-
to the sign change of the photon propagator in the ergies. On the left hand side, the wave vector q is parallel
case of transverse modes, the denominator of the RPA- to the current and on the right hand side perpendicular.
approximation cannot become zero for the perpendicular The results obtained from the Dirac-cone approximation
part without the logarithmic term. But including it leads π k (q, ω) and π ⊥ (q, ω) are also shown (dashed lines).
to a new transverse electromagnetic mode in graphene.40 For the perpendicular contribution of π i,i (right hand
For the static case, we obtain the following formula side), clear differences are seen for lower energies due to
which was first given in Ref.29 : the finite temperature kB T /t = 0.01 used in the numer-
ical calculation. This results in a thermal broadening of
e2 g 2kF
π − (q, ω = 0) = vF qΘ(q − 2kF )G−
<( ) (43) the delta-function of Eq. (44) and is responsible for the
~ 8π q diamagnetism found in graphene30 since intrinsic dop-
ing leads to µ 6= 0. The dotted lines on the right hand
where kF = µ/(~vF ). The parallel component π + is zero.
side refer to the same curves but at lower temperature
For fixed q, πµ− is only non-zero for µ < ~vF q/2 and since
R1 kB T /t = 0.001 which agrees well with the Dirac cone
−
0 dxG< (x) = 4/3, the limit q → 0 leads to the well approximation now also at low energies.
known delta function for the diamagnetic susceptibility
When q is in x-direction which was chosen to be the
of graphene:
high symmetry axis which connects the Γ- and M -point
g 2 2 of the Brillouin zone, there is good agreement with the
χM = −µ0 e vF δ(µ) (44)
6π result coming from the Dirac cone approximation (except
for the deviations in π ⊥ due to temperature, mentioned
before). When q is in y-direction, we observe a peak
B. Numerical Results splitting around the resonant energy ~ω = ~vF q (see in-
set on the left hand side). There are thus lattice effects
We shall now compare the analytical results of the lin- which show up even in the regime where the Dirac cone
earized, isotropic Dirac model with the numerical results approximation and where the system should be isotropi-
obtained from the hexagonal lattice. In Fig. 1, we show cally invariant.
6
|q|a=0.1 , µ=0.05t |q|a=0.1 , µ=0.05t
0.25 qx=q,qy=0,i=x
0.04 onant energy ~ω = ~vF q. This is reminiscent to the
qx=0,qy=q,i=y qx=0,qy=q,i=x fact that also the polarizability is not well described by
the Dirac approximation for these energies.21 The scalar
||
π (Dirac) qx=q,qy=0,i=y
0.2 _|_
0.03 π (Dirac)
relation between the conductivity and the polarizability
Im π (qx,qy,ω)
Im π (qx,qy,ω)
0.15
0.3
which makes use of the fact that there is a parallel compo-
0.2 0.02 nent does thus not hold for the lattice model. This might
be important for first principle studies which make use
i,i
i,i
0.1
0.1
of this relation.
0.01
0
0.05 0.14 0.16
3B
ω
0 0
0 0.05 0.1 0.15 0.2 0.25 0 0.05 0.1 0.15 0.2 0.25
ω/t ω/t 2B
2µ
VI. ACKNOWLEDGMENTS
We have discussed the dynamical current-current cor-
relation function of the hexagonal lattice and of graphene
modeled by the linearized Dirac model. To define a local This work has been supported by grants
current operator, we introduced a continuum-replica of PTDC/FIS/101434/2008 and FIS2010-21883-C02-02.
the original lattice model. The resulting paramagnetic
current operator obeys the continuity equation with re-
spect to the density operator defined on the original lat- VII. APPENDIX
tice. The diamagnetic response is non-local.
We then gave explicit expressions of the current- Here, we shall present the real and imaginary part of
current correlation function for the honeycomb lattice π ± in terms of the three real dimensionless functions
and defined the longitudinal and transverse component
g ~ω v q 2 ∓ 12
in case of the rotationally invariant Dirac model. For the ±
f (q, ω) = 1−
F , (45)
Dirac model, explicit analytical expressions were given 16π t ω
where the results for the longitudinal component can be p
−1
G± 2
> (x) = x x − 1 ∓ cosh (x) , x > 1 ,
obtained via the continuity equation from the density- p
density correlation function, as was discussed in detail. ± −1
G< (x) = ±x 1 − x2 − cos (x) , |x| < 1 .
In the last part of this paper, we showed that in the
honeycomb lattice, the longitudinal and transverse com- For the imaginary part, the additional terms at finite
ponent cannot be defined for energies around the res- doping then read in the language of Fig. 3:
± 2µ−~ω 2µ+~ω
G> ( ~vF q ) − G±
> ( ~vF q ) , 1A
π ± 2µ+~ω , 1 B
Im∆πµ (q, ω) = −f (q, ω) × −G> ( ~vF q )
± ± , 2 A (46)
−G±
~ω−2µ
< ( ~vF q ) , 2 B
0 , 3 A
0 , 3 B
7
π , 1A
2µ−~ω ± 2µ+~ω
−G±
> ( ~vF q ) + G> ( ~vF q ) , 1 B
−G± ~ω−2µ
gµ ω 2 < ( ~vF q ) , 2A
Re∆πµ± (q, ω) = ± ∓ f ± (q, ω) × 2µ+~ω
(47)
2πt (vF q)2
G±
> ( ~vF q ) , 2B
± ~ω−2µ ± 2µ+~ω
−G< ( ~vF q ) + G< ( ~vF q ) , 3 A
± 2µ+~ω
G> ( ~vF q ) − G± ~ω−2µ
> ( ~vF q ) , 3B
Since this agrees with the complex expression given in Eq. (39).
For more details, see Ref.8 and Ref.32 .
G±
> (x) ,x > 1
G± (x) = (48)
±iG±< (x) , |x| < 1
1 22
K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. T. Tudorovskiy and S. A. Mikhailov, Phys. Rev. B 82,
Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, 073411 (2010).
23
Science 306, 666 (2004). M. van Schilfgaarde and M. I. Katsnelson,
2
A. K. Geim, Science 324, 1530 (2009). arXiv:1006.2426.
3 24
A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. R. A. Muniz, H. P. Dahal, A. V. Balatsky, and S. Haas,
Novoselov, and A. K. Geim, Rev. Mod. Phys. 81, 109 Phys. Rev. B 82, 081411(R) (2010).
25
(2009). D. Gazit, Phys. Rev. B 79, 113411 (2009).
4 26
S. Das Sarma, Shaffique Adam, E. H. Hwang, and Enrico J. F. Dobson, A. White, and A. Rubio, Phys. Rev. Lett.
Rossi, arXiv:1003.4731. 96, 073201 (2006); G. Gómez-Santos, Phys. Rev. B 80,
5
N. M. R. Peres, Rev. Mod. Phys 82, 2673 (2010). 245424 (2009).
6 27
S. L. Adler, Phys. Rev. 126, 413 (1962). K. F. Allison, D. Borka, I. Radovic, L. Hadzievski, and Z.
7
Note that the functional form of the band-overlap function L. Miskovic, Phys. Rev. B 80, 195405 (2009).
28
depends on the phase of the structure factor. J. W. Clure, Phys. Rev. 104,666 (1956).
8 29
B. Wunsch, T. Stauber, F. Sols, and F. Guinea, New J. M. Koshino, Y. Arimura, and T. Ando, Phys. Rev. Lett.
Phys. 8, 318 (2006). 102, 177203 (2009).
9 30
E. H. Hwang and S. Das Sarma, Phys. Rev. B 75, 205418 M. Sepioni, S. Rablen, R. R. Nair, J. Narayanan, F.
(2007). Tuna, R. Winpenny, A. K. Geim, and I. V. Grigorieva,
10
F. Stern, Phys. Rev. Lett. 18, 546 (1967). arXiv:1007.0423.
11 31
Kenneth W.-K. Shung, Phys. Rev. B 34, 979 (1986); ibid. A. Principi, M. Polini, G. Vignale, and M. I. Katsnelson,
34, 1264 (1986). Phys. Rev. Lett. 104, 225503 (2010).
12 32
J. González, F. Guinea, and M. A. H. Vozmediano, Phys. A. Principi, M. Polini, and G. Vignale, Phys. Rev. B 80,
Rev. B 59, R2474 (1999). 075418 (2009).
13 33
T. Ando, J. Phys. Soc. Jpn. 75, 074716 (2006). X.-G. Wen, Quantum Field Theory of Many-Body Systems.
14
O. Vafek, Phys. Rev. Lett. 97, 266406 (2006). (Oxford U. P., 2004).
15 34
S. Gangadharaiah, A. M. Farid, E. G. Mishchenko, Phys. I. Paul and G. Kotliar, Phys. Rev. B 67, 115131 (2003).
35
Rev. Lett. 100, 166802 (2008) D. J. Scalapino, S. R. White, and S. C. Zhang, Phys. Rev.
16
M. R. Ramezanali, M. M. Vazifeh, R. Asgari, M. Polini, B 47, 7995 (1993).
36
and A. H. MacDonald, J. Phys. A : Math. Theor. 42, V. P. Gusynin, S. G. Sharapov, and J. P. Carbotte, Phys.
214015 (2009). Rev. B 75, 165407 (2007).
17 37
R. Roldan, J.-N. Fuchs, M. O. Goerbig, Phys. Rev. B 80, N. M. R. Peres and T. Stauber, Int. J. Mod. Phys. B 22,
085408 (2009). 2529 (2008); T. Stauber, N. M. R. Peres, and A. K. Geim,
18
P. K. Pyatkovskiy, J. Phys.: Condens. Matter 21, 025506 Phys. Rev. B 78, 085432 (2008).
38
(2009). C. Bena and G. Montambaux, New J. Phys. 11, 095003
19
T. G. Pedersen, A-P. Jauho, and K. Pedersen, Phys. Rev. (2009).
39
B 79, 113406 (2009). J. Sabio, J. Nilsson, and A. H. Castro Neto, Phys. Rev. B
20
A. Hill, S. A. Mikhailov, and K. Ziegler, Europhys. Lett. 78, 075410 (2008).
40
87, 27005 (2009). S. A. Mikhailov and K. Ziegler, Phys. Rev. Lett. 99, 016803
21
T. Stauber, J. Schliemann, and N. M. R. Peres, Phys. Rev. (2007).
B 81, 085409 (2010).