Quantum Theory of Graphene

Graphenes 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

3.4

Graphene = A single layer of graphite

Graphene Electronic Structure

Carbon: Z=6 ; 4 valence electrons
3s,3p,3d (18 states)

sp2 bonding

*
2s,2p (8 states)

orbital ( to plane) derived from pz

orbital (in plane) derived from s, px, py

1s (2 states)

bonds: exceptional structural rigidity electrons: allow conduction

Hopping on the Honeycomb

Textbook QM problem: Tight binding model on the Honeycomb lattice
sublattice A sublattice B unit cell

Just like CJs homework!

Benzene C6H6

Hopping on the Honeycomb

Textbook QM problem: Tight binding model on the Honeycomb lattice
sublattice A sublattice B unit cell

Just like CJs homework!

Benzene C6H6

Hopping on the Honeycomb

Textbook QM problem: Tight binding model on the Honeycomb lattice
sublattice A sublattice B unit cell

Just like CJs homework!

Benzene 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

p2 Ec = Ec0 * 2mc 2 p 0 Ev = Ev * 2mv

E = vF | p |
Fermi velocity

v F = 8 10 m / s
5

Theory of Relativity
A stationary particle (p=0) has rest energy

E = mc

A particle in motion is described by the relativistic dispersion relation:

E = (mc ) + (cp)
2 2

Albert Einstein 1879-1955

Velocity:

E cp =c v= p (mc 2 ) 2 + (cp ) 2

Massive Particle (e.g. electron)

E = (mc 2 ) 2 + (cp) 2
Nonrelativistic limit (v<<c)

p2 E mc 2 + + ... 2m

Massless Particle (e.g. photon)

m=0

E =c| p|

v=c

Wave Equation
E= ~i t
p2 E= 2m

; p = k i

(e.g. = ei ( k i r t ) )

Non relativistic particles: Schrodinger Equation

2 2 i = 2m t

Relativistic particles: Klein Gordon Equation

E 2 = c 2 p 2 + m2c 4

2 2 2 = ( 2 c 2 2 + m 2 c 4 ) t

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 : Im trying to take the square root of something

Diracs Solution
m 1 0 2 2 ( px + p y + m 2 ) 0 1 = px + ip y
2 x 2 y 2

(1928)

How can you take the square root of px2+py2+m2 without taking a square root?
px ip y m m px + ip y px ip y m

( p + p + m ) I = px x + p y y + m z
Dirac Matrices :
x = 1 0 ; y = i 0 1 0 i 1 ; z = 0 0 0 1

Dirac i = i x + y + z m Equation t x y

A = B

Low Energy Electronic Structure of Graphene A

B

The low energy electronic states in graphene are described by the Dirac equation for particles with Mass : Speed of light m=0 c = vF

A = B

sublattice A sublattice B

Emergent Dirac Fermions

Consequences of Dirac Equation

1. The existence of Anti Particles

E = (mc ) + (cp )
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.

Electrons have permanent magnetic Interpretation natural for graphene

A B

moment (responsible for magnetism)

S

e-

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 3 2 1

1 eB En = (n + ) 2 m
for n=0, 1, 2, ....

Landau levels for relativistic particles

2 1 0 1 2

En = e v 2 Bn F
for n=0, 1, 2, ....

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