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James M. MacLaren
Tulane University
Topics covered
• Introduction
• Magnetism as a quantum phenomenon
• Spin and orbital moments
• Paramagnetism/Diamagnetism
• Spin-orbit coupling
• Hundt’s rules and magnetic ions
• Magnetic interactions, dipolar, exchange
• Direct, indirect, super, and double exchange
• The Heisenberg Hamiltonian and ferro/antiferro magnetism
• Weiss model of ferromagnet
• Exchange coupling in metallic superlattices
• Domain walls
• Micromagnetics
• Kerr effect
• Magneto-crystalline anisotropy
Introduction
• Magnetic Moment
– Interactions, ordering, temperature dependence
dm = IdS
m
m = I dS
e
e 2πr
I= − τ=
τ m
• Now add in magnetic material. Fields inside the material Bi and Hi differ markedly
from B0 and H0, and can be complicated to calculate except in simple cases e.g.
slab, sphere… in which case Hi=H0-NM, N is the demagnetization factor =1/3 for a
sphere.
• More complex shape need to satisfy Maxwell’s equations with M=0 outside the
sample
Quantum Mechanics of Spin
• orbital angular momentum
– state defined by l and ml
N
¥(¥+ 1)u,m ¥u
N
s(s+ 1)u,m su
Q p2S e2 Q
+ VS + µB (· + gS)·µ + (µ × rS)2
S
2m 8m S
H0 paramagnetism diamagnetism
Paramagnetism J = 1/2
• Partition function
• Free energy
o = n[B T l n Z
• Magnetization
0o
x = − = tanh (gµB /[B T )
0B
• For high T, M = gµBB/kBT, χ ∝ 1/T or Curie’s Law
e2B 2 Q 2 2
^ e2 B 2 Q 2 ^
∆E = 0gxS + y S g0 = 0grS g0
8m S
12m S
N e2µ0
−= − Z eff r2
V mm
• where Zeff is the # of outer shell electrons and r the ionic radius
• - sign similar to Lenz’s law in induction
Spin Orbit Coupling
• Total angular momentum is the sum of both spin and orbital contributions
J= ·+ S
• The spin and orbital moments are weakly coupled. This coupling falls out of
the Dirac equation.
µ = gjj(j+ 1)µB
µ = µB (· + gsS)= gJ µB J
• Lande g-factor
E = − 3 V (r)
• ½ is the relativistic Thomas factor
1 eu2 dV
H s+ = − µQµ = 2
·QS
2 2m c r dr
Magnetism of ions/Hundt’s rules
• Hundt’s rules used to determine total angular momentum. Minimize
Coulomb energy taking into account the Pauli principle
• 3rd rule not always applicable in a solid since surrounding ions in the
crystal provide an electrostatic field
Taken from “Magnetism in
Condensed Matter, by Stephen
Blundell, Oxford, 2001.
Magnetic Ions in a solid
• Relative importance of crystal field terms and spin-orbit coupling determines
the moment.
p N
µ0 3
E = 3
µ µ
1 2 − 2
(µ1 ·r)(µ2 ·r)
4πr r
1
ψs = π [ψ a (r1)ψ b(r2)+ ψ a (r2)ψ b(r2 )]−s
2
– Triplet state has S=1
1
ψN = π [ψ a (r1)ψ b(r2)− ψ a (r2)ψ b(r2 )]−N
2
Heisenberg Hamiltonian
• Energy of singlet & triplet states
E s = ψ s∗ H ψ s E N = ψ N∗ H ψ N
– For a singlet 3
S 1 ·S 2 = −
4
1
– For a triplet S 1 ·S 2 =
4
Heisenberg Hamiltonian
Q
H = − JSjS SS j
Sj
Electron hopping
• Assuming S=1/2
Q
H = gµB S S ·(µ + µ m f)
S
µm f = ∗M
p N
x gµB S(B + ∗x )
= tanh
xs [B T
Curie temperature
• Solve the two equations for appearance of non zero M
x x 2[B T
= tanh(y ) = y
xs xs gµB ∗x s
• Leads to
gµb∗x s nµ2eff JJ
Tc = = =
2[B 3[B 2[B
– z is # of nearest neighbors
• susceptibility
1
−∝
T − TC
Properties of some common
ferromagnets
M aterial T (p )
c m om ent
Qe 1043 2.2
No 1394 1.c2
ui m31 0.m1
GH 289 c.T
M nSb T8c 3.T
EuO c0 m.9
EuS 1m.T m.9
• Change in PE
ix
ffE P E = − 0
µ0(∗x )dx = − 12 µ0∗x 2
= − 12 µ0µ2B ∗(n↑ − nt )2
• TN is known as the Neel temperature shows this form but the extrapolated
Weiss temperature differs from simple mean field Neel temperature. Need
to include 2nd neighbor interactions (both sublattices)
Other magnetic ordering
• Ferrimagnetism – two sublattice moments with different values are coupled
antiferromagnetically e.g. Fe3O4
• Helical ordering seen in some rare earth magnets e.g Dy
R T
t
Exchange coupling
• Ferromagnetic state
M M + M M
• Antiferromagnetic state
+ M
M M M
• Exchange coupling
u mo U ↑↑ 2 ↑t 2 ↑↑ ↑t
E 1
J(N)= gG g + gG g − 2gG G g × qin(2[o N+ φ0 )
i 2 N
3-d and realistic Fermi surfaces
• Moving from 1-d to 3-d for free electrons
– Fermi surface spherical
– Contributions from all k//
– Contributions to integrand oscillate except when parts of Fermi surface are
parallel (approximate with stationary phase integration)
– Spanning vector of 2kF determines oscillations just like 1-d model
• Realistic Fermi surface oscillations determined by spanning vectors in the
growth direction that link parallel sheets of the Fermi surface
SEMPA
MOKE
# of layers
http://physics.nist.gov/Divisions/Div841/Gp3/Projects/MagNano/sempa_exchange_proj.html
Domain Walls
• Wall is region between two magnetic
domains
i22 NKa
E = JS +
N a2 2
Wall size (cont.)
• Minimizing wrt N leads to
N
N = iS 2J/K a3
• And
N
ff = N a = iS 2J/K a
N N
σB f = iS 2JK /a = i A ex K
Calculated
boundary
exchange
HRTEM image of grain
boundary in Co1Pd5
R.H. Victora, S.D. Willoughby, J.M. MacLaren, and Jianhua Xue, IEEE Trans. Mag., 39, 710 (2003).
Calculated hysteresis loop
• Anisotropy only perturbed right at boundary plane
• Exchange coupling falls off quickly
• Modeled distribution of grains and used calculated anisotropies and
exchanges
Secondary Magnetic Properties
• magneto optics
– Rotation of the plane of polarized light on either reflection/transmission
• magneto crystalline anisotropy
– Energy cost as magnetization rotated wrt crystal axes
• magnetostriction
– Change in shape of a sample as it is magnetized
• magnetoelastic effect
– Influence of stress on magnetization
• Maxwell’s equations
4i 1 0D
3 ·D = 4iρ 3 × H = J+
c c 0N
1 0µ
3 ·µ = 0 3 × E = −
c 0N
• Linear media
D = TE , J = σE , µ = µH
Polar Kerr Effect (cont)
• Consider incident plane waves
E (r,N) = E 0 exp(S(, ·r− ≥N))
H (r,N) = H 0 exp(S(, ·r− ≥N))
[02D = [2 E − (, ·E ),,
m µ ; [
ne2 1 S; N
σ× β = S ff× β + dNe eψg ĵ× (− ,N),ĵβ (,0) gψs
m; u;Ω 0
n0 e2
σ× β = S [m ∗ ]− 1
(; + S/τ4 )
| r
2 Q QH QHH × β β ×
Se 1 − T σT Hσ H− T Hσ HT σ − T σT Hσ H− T Hσ HT σ
+ 2
− ,
m uΩ H H
;T σ ,T σ ; − ;T σ ,T σ + Sff ; + ;T σ ,T σ + Sff
H H H H H H
, Tσ T σ
Kubo formula (cont)
• Matrix elements include spin-orbit coupling
m ( u
0 u
− ×T σ,T Hσ H(,)= drψ T ∗σ, (r) − Su + 2
(σ × 3 V (r))× ψ T Hσ H, (r)
Ω 0x× 4m c
m H HH
e 2 Q Q g− +T σ,T Hσ Hg2 + g− −T σ,T Hσ Hg2
σxx (;) = d3 [
m 2u 2;T Hσ H,T σ
T σ T Hσ H
( u
1 1
× +
(; − ;T Hσ H,T σ (,)+ Sff) (; + ;T Hσ H,T σ (,)+ Sff)
m H HH
e 2 Q Q g− +T σ,T Hσ Hg2 − g− −T σ,T Hσ Hg2
σxy (;) = d3[
m 2u 2;T Hσ H,T σ
T σ T Hσ H
( u
1 1
× +
(; − ;T Hσ H,T σ (,)+ Sff) (; + ;T Hσ H,T σ (,)+ Sff)
Example of Fe
Anisotropy
• Magnetization prefers to align with certain crystallographic directions – easy
and hard axes
• Origin is spin orbit coupling
• Can be calculated using modern electronic structure methods
• Larger in technologically interesting superlattices where the symmetry is
lower
• Often seen in superlattices is a sum of interface/surface and bulk
contributions
K j = 2K s/N+ K m
Column 1:Daalderop et al., PRB 41, 11919, 1990 (LMTO s,p,d partial waves)
Column 2:Daalderop et al., PRB 41, 11919, 1990 (LMTO s,p,d,f partial waves)
Column 3: Fritsche et al., J. Phys. F 17, 943 (1987)
Column 4: Trygg et al., PRL 75, 2871 (1995)
Column 5: Trygg et al., PRL 75, 2871 (1995) (adding in orbital polarization)
Pj (1 − Pj +1 )W1m + (1 − Pj ) Pj +1W1m
• For pure materials K=0, so