Quantum Theory of Graphene

• Graphene’s electronic structure:

A quantum critical point
• Emergent relativistic quantum mechanics:
The Dirac Equation
• Insights about graphene from relativistic QM
Insights about relativistic QM from graphene
• Quantum Hall effect in graphene
 Allotropes of elemental carbon

1.4 Å 3.4 Å

Graphene = A single layer of graphite

 Graphene Electronic Structure
Carbon: Z=6 ; 4 valence electrons

3s,3p,3d
(18 states) sp2 bonding
π orbital (┴ to plane)
derived from pz
σ*

2s,2p
(8 states) π

σ σ orbital (in plane)

derived from s, px, py
1s
(2 states)
• σ bonds: exceptional structural rigidity
• π electrons: allow conduction
 Hopping on the Honeycomb
π

Textbook QM problem: Tight binding model on

the Honeycomb lattice

sublattice A Just like CJ’s homework!

sublattice B
Benzene
unit cell C6H6
 Hopping on the Honeycomb
π

Textbook QM problem: Tight binding model on

the Honeycomb lattice

sublattice A Just like CJ’s homework!

sublattice B
Benzene
unit cell C6H6
 Hopping on the Honeycomb
π

Textbook QM problem: Tight binding model on

the Honeycomb lattice

sublattice A Just like CJ’s homework!

sublattice B
Benzene
unit cell C6H6
 Electronic Structure
Metal
• Partially filled band
• Finite Density of States
(DOS) at Fermi Energy

Semiconductor
• Filled Band
• Gap at Fermi Energy

Graphene A critical state

• Zero Gap Semiconductor
• Zero DOS metal
Semiconductor Graphene

2
p
Ec = Ec0 − * E = ±vF | p |
2mc
p 2 “Fermi velocity”
Ev = Ev − *
0

2mv v F = 8 × 10 m / s
5
 Theory of Relativity
A stationary particle (p=0) has rest energy

E = mc 2

A particle in motion is described by the

relativistic dispersion relation:
Albert Einstein 1879-1955

E = (mc ) + (cp)2 2 2

Velocity:

∂E cp
v= =c
∂p (mc 2 ) 2 + (cp ) 2
Massive Particle (e.g. electron)
E = (mc 2 ) 2 + (cp) 2

Nonrelativistic limit (v<<c)

2
p
E ≈ mc 2 + + ...
2m

Massless Particle (e.g. photon)

m=0
E =c| p|
v=c
 Wave Equation
∂
E= ω ~i ; p = k ∼ −i ∇ (e.g. ψ = ei ( k i r −ωt ) )
∂t
Non relativistic particles: Schrodinger Equation
p2 ∂ψ 2
E= ⇒ i =− ∇ψ
2

2m ∂t 2m
Relativistic particles: Klein Gordon Equation

∂ 2
ψ
E 2 = c 2 p 2 + m2c 4 ⇒ − 2
= ( − ∇
2 2 2
c + m c )ψ
2 4

∂t 2

In order to preserve particle conservation, quantum theory

requires a wave equation that is first order in time.
 Niels Bohr 1885-1958 Paul Dirac 1902-1984

Niels Bohr : “What are you working on Mr. Dirac?”

Paul Dirac : “I’m trying to take the square root of

something”
 Dirac’s Solution (1928)
How can you take the square root of px2+py2+m2
without taking a square root?
⎛ m px − ip y ⎞ ⎛ m px − ip y ⎞
( px2 + p y2 + m 2 ) ⎛⎜
1 0⎞ ⎜ ⎟⎜ ⎟
⎟ =
⎝ 0 1 ⎠ ⎜ px + ip y − m ⎠⎟ ⎝⎜ px + ip y −m ⎠⎟
⎝

( p + p + m ) I = pxσ x + p yσ y + mσ z
2
x
2
y
2

−i ⎞
σ x = ⎛⎜ ⎞ ; σ =⎛ ⎛1
0 1 0 0⎞
⎟ ⎜i σ =
“Dirac Matrices” : 0 ⎟⎠ ⎜0 −1⎟⎠
;
⎝1 0⎠ ⎝ ⎝
y z

Dirac ∂ψ ⎡ ⎛ ∂ ∂ ⎞ ⎤ ⎛ψ A ⎞
i = ⎢ −i ⎜ σ x + σ y ⎟ + σ z m ⎥ψ ψ = ⎜ψ ⎟
Equation ∂t ⎣ ⎝ ∂x ∂y ⎠ ⎦ ⎝ B⎠
Low Energy Electronic Structure of
A Graphene
B The low energy electronic states
in graphene are described by the
Dirac equation for particles with

Mass : m=0

“Speed of light” c = vF

⎛ψ A ⎞ sublattice A
ψ = ⎜ψ ⎟
⎝ B⎠ sublattice B

Emergent Dirac Fermions

Consequences of Dirac Equation
1. The existence of Anti Particles

E = ± (mc ) + (cp )2 2 2

anti electron = positron

Massive Dirac Eq. ~ Semiconductor

Gap 2 mec2
Effective Mass m*=me

Anti Particles ~ Holes

Consequences of Dirac Equation
2. The existence of Spin
• Electrons have intrinsic angular momentum
J = L+S Sz = ±
Total a.m. Orbital a.m. Spin a.m. 2
N
• Electrons have permanent magnetic
moment (responsible for magnetism) e-
S

• Interpretation natural for graphene

⎛ψ ↑ ⎞ ⎛ψ A ⎞
⎜ψ ↓ ⎟ ∼ ⎜ψ B ⎟ “pseudo spin” ~ sublattice index
⎝ ⎠ ⎝ ⎠
Experiments on Graphene

• Gate voltage controls charge n on graphene

(parallel plate capacitor)

• Ambipolar conduction: electrons or holes

 Landau levels for classical particles
4
1 eB
3 En = (n + )
2 2 m
1
for n=0, 1, 2, ....

Landau levels for relativistic particles

2
1 En = ± e v 2F Bn
0

1 for n=0, 1, 2, ....

2

Existence of landau level at 0 is deeply related to spin in Dirac Eq.