An Introduction to Graphene Electronic Structure

Michael S. Fuhrer
Department of Physics and
Center for Nanophysics and Advanced Materials
University of Maryland

Michael S. Fuhrer University of Maryland

 If you re-use any material in this
presentation, please credit:
Michael S. Fuhrer, University of
Maryland

Michael S. Fuhrer University of Maryland

 Carbon and Graphene

Carbon Graphene

- Hexagonal lattice;
- C 1 pz orbital at each site
-
-
4 valence electrons

1 pz orbital

3 sp2 orbitals

Michael S. Fuhrer University of Maryland

 Graphene Unit Cell
Two identical atoms in unit cell:
A B

Two representations of unit cell:

Two atoms

1/3 each of 6 atoms = 2 atoms

Michael S. Fuhrer University of Maryland

 Band Structure of Graphene
Tight-binding model: P. R. Wallace, (1947)
(nearest neighbor overlap = γ0)

 3k x a   k y a  2 y 
k a
E (k )  EF   0 1  4 cos  cos
    4 cos  
 2   2   2 
E

kx

ky

Michael S. Fuhrer University of Maryland

 Band Structure of Graphene – Γ point (k = 0)
Bloch states:
1
“anti-bonding”
FA(r), or   E = +γ0
0
1 1
 
2  1
A
B

Γ point:
k=0
0
FB(r), or  
1

“bonding”
A
B E = -γ0
1 1
 
2 1

Michael S. Fuhrer University of Maryland

 Band Structure of Graphene – K point
4 3a
K
K  
3a 2

1 0
FA(r), or   FB(r), or  
0 1
K

K
Phase:

1
2
i
3
e
4
i
3
e

K
Michael S. Fuhrer λ University of Maryland
 Bonding is Frustrated at K point

“anti-bonding”
K
1 1
 
2  1
4 3a E = 0!
K  
3a 2
1
FA(r), or  
0 “bonding”
1 1
 
2 1
E = 0!
0
FB(r), or  
1 0
π/3 K point:
5π/3
Bonding and anti-bonding
4π/3 2π/3 are degenerate!
π
Michael S. Fuhrer University of Maryland
 Band Structure of Graphene: k·p approximation
Hamiltonian:
 0 k x  ik y  FA (r )   FA (r ) 
vF  
     
 k x  ik y 0  FB (r )   FB (r )  K

vF (σ  k )F (r )  F (r ) K’

Eigenvectors: Energy:

 i k / 2

1 ik r  ibe 
k  e  i k / 2

;   bv F k
2  e  linear dispersion relation
θk is angle k makes with y-axis “massless” electrons
b = 1 for electrons, -1 for holes

electron has “pseudospin”

pointsS.parallel
Michael Fuhrer (anti-parallel) to momentum University of Maryland
 Visualizing the Pseudospin
0
5π/3 π/3

4π/3 2π/3
π

Michael S. Fuhrer University of Maryland

 Visualizing the Pseudospin
0
5π/3 π/3

4π/3 2π/3
π
30 degrees

390 degrees

Michael S. Fuhrer University of Maryland

 Pseudospin

σ || k  0 k x  ik y 
 
H K  vF   k  vF  
σ || -k  k x  ik y 0 
K t 
H K '  vF   k
K’

• Hamiltonian corresponds to spin-1/2 “pseudospin”

Parallel to momentum (K) or anti-parallel to momentum (K’)

• Orbits in k-space have Berry’s phase of π

Michael S. Fuhrer University of Maryland

 Pseudospin: Absence of Backscattering

K’: k||-x K: k||-x K: k||x

bonding anti-bonding bonding
orbitals orbitals orbitals
real-space
wavefunctions
(color denotes
phase)

anti-bonding

k-space
representation

K’ bonding K
Michael S. Fuhrer University of Maryland
 “Pseudospin”: Berry’s Phase in IQHE

30
B=8T 26
22
T = 2.3 K 18
14
10 10

xx (e /h)

xy (e /h)
6

2
2
-2

2
-6
5 -10
π Berry’s phase for electron orbits -14
results in ½-integer quantized Hall -18
-22
effect -26
0 -30
-80 -60 -40 -20 0 20 40 60 80
e2  1
 xy     4 n   Vg (V)
h  2

g s gv  2  2  4 Berry’s phase = π

Michael S. Fuhrer University of Maryland

 Graphene:
SingleSingle
Layer layer vs. Bilayer
vs. Bilayer

Single layer Graphene Bilayer Graphene

w  6.0 m w  5.2 m
l  2.6 m l  4.3 m
Michael S. Fuhrer University of Maryland
 Graphene Dispersion Relation: Bilayer Dispersion Relation:
“Light-like” “Massive”

E E

ky ky

kx kx
 2k 2
Massive particles: E 
Light: E    ck 2me
Electrons in graphene: Electrons in bilayer graphene:

E  vF k  2k 2
E
2m *
Fermi velocity vF instead of c Effective mass m* instead of me
vF = 1x106 m/s ~ c/300 m* = 0.033me
Michael S. Fuhrer University of Maryland
 Quantum HallQuantum
Effect: Single Layer vs. Bilayer
Hall Effect
Single layer: Bilayer:
e2  1 e2
 xy     4 n    xy    4n  1
h  2 h

Berry’s phase = π Berry’s phase = 2π

QHE single layer at T=1.34K B=9T

bilayer QHE at T=1.35K, B=9T
0.25
10 0.30 8
0.20
6 0.25
4

xy(e2/h)
0.15 0.20

xy(e /h)
xx(k )
2
xx(k )

-1
-1

0
0.15

2
0.10 -2

0.10 -4
-6
0.05
0.05
-10 -8
0.00 0.00
-40 -30 -20 -10 0 10 20 30 40 -30 -20 -10 0 10 20 30
Vg-VDirac(V) Vg-VDirac(V)
See also: Zhang et al, 2005, Novoselov et al, 2005.
Michael S. Fuhrer University of Maryland