Quantum Matter / Matéria Quântica

Problem set 4 — The pseudospin in mono and bilayer graphene

In the questions below, consider the notation introduced in the lectures for the effective real-space
Hamiltonian of monolayer graphene (MLG),

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Ĥ(ξ) = vF σ(ξ) · p̂, σ (ξ) ≡ ξσx x̂ + σy ŷ, p̂ ≡ −i~∇, ~vF ≡ ta,
2

where ξ = ± refers to the two inequivalent valleys near the point K and K ′ in reciprocal space.
The 2×2 space encoded by the Pauli matrices σj refers to the (A, B) sublattice space in MLG.

For bilayer graphene (BLG), in the 2-band low-energy approximation, we have seen that the effective
Hamiltonian reads
" #
(ξ) 1 0 (ξ p̂x − ip̂y )2 t⊥
Ĥ = − ∗ , m∗ ≡ 2 .
2m (ξ p̂x + ip̂y )2 0 2vF

In this case, the 2×2 space encoded by the Pauli matrices σj refers to the sites A1 and B2 in different
layers which are not directly connected by the interlayer hopping t⊥ .

Problem 1 (monolayer: free solutions, pseudospin, current density, electrons and holes)

Consider the low-energy description of MLG given by the massless Dirac Hamiltonian written above.

(ξ)
a) Let ψqλ (r) be the stationary states of MLG, i.e, the solutions of the eigenvalue equation

(ξ) (ξ) (ξ)

Verify that, when normalized to a total area Ω, the eigenstates are given by the 2-spinors
" #
(ξ) eiq·r (ξ) (ξ) 1 1
ψqλ (r) = √ uqλ , uqλ ≡√ , φq ≡ arg (qx + iqy ),
Ω 2 ξλeiξφq

(ξ)
where the pseudospin uqλ contains the wavefunction amplitudes in the A and B sublattices
of the graphene sheet, and that the eigenenergies are given by

(ξ)
Eqλ = λ~vF q, q ≡ |q|, λ = ± (band index).

(ξ) (ξ)
b) Consider the mapping of the pseudospin uqλ to a unit vector nqλ in the Bloch sphere. Since
the amplitude in the two sublattices A and B is the same (by symmetry), the Bloch unit
(ξ) (ξ)
vector nqλ must lie in the equator and its direction is uniquely specified by an angle θqλ
relative to the direction x̂. For example, when ξ = λ = +, we have θq = φq and we say that

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 “the pseudospin points along the momentum direction for electron eigenstates belonging to
valley K in the conduction band.”

Explicitly obtain the relation between θq and φq in the 4 possible cases allowed by the values
ξ = ± and λ = ±.

c) Before proceeding, go to your favorite quantum mechanics textbook and review how, starting
from the time-dependent Schrödinger equation, one derives the expression for the probability
current density j(r, t) and the probability conservation rule

∂ρ(r, t)
+ ∇ · j(r, t) = 0
∂t

associated with an arbitrary quantum state ψ(r, t). For Dirac fermions, the probability density
associated with a (spinor) state ψ(r, t) is defined by

ρ(r, t) ≡ ψ † (r, t) ψ(r, t).

Following a procedure analogous to that used in the Schrödinger case, show that, for electronic
states near valley ξ of graphene, the probability current density is given by

j (ξ) (r, t) ≡ vF ψ † (r, t) σ(ξ) ψ(r, t).

(ξ)
d) Use the previous result to show that, in a stationary state ψqλ , the probability current density
for a conduction band state (an electron state) is parallel to q, whereas for a valence band
state (a hole state) the current and q are anti-parallel, irrespective of the valley ξ.

Problem 2 (bilayer: free solutions, pseudospin, current density, electrons and holes)

Repeat the previous problem, now considering the case of bilayer graphene in the low-energy two-
band approximation.

Problem 3 (backscattering amplitudes)

The momentum relaxation time, τq , is a central quantity to model electric transport since it can be
directly related to the material’s electrical conductivity. It is formally defined by

1 X
Θq,q′ ≡ angle between q, q ′ ,


≡ Γq→q′ 1 − cos Θq,q′ ,
τq ′
q

where Γq→q′ is the rate of scattering from a state of momentum q to one with momentum q ′ . The
dominant processes are those where Θq,q′ = π, which represent backscattering events: q → q ′ = −q.
Scattering between stationary states will arise from any source of disorder in the system, such as
impurities. To describe that scenario, we treat such potential as a perturbation to the Hamiltonian:

Ĥ = Ĥ0 + V̂,

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where Ĥ0 is the Hamiltonian of the pure/pristine system and V̂ describes the interaction of the
electrons with the source of disorder. Suppose the perturbation is valley-independent and has the
form
V̂ = v(r) ⊗ 12×2 ,

where the presence of 12×2 means it is diagonal in the pseudospin space, which is appropriate for
disorder-induced potentials that vary slowly on the atomic scale.

Using Fermi’s golden rule, the elastic scattering rate Γi→f between some initial (i) and final (f )
state can be computed as (elastic scattering means Ei = Ef = E)

2π 2
Γi→f = hf |V̂|ii N (E), N (E) : density of states at energy E.
~
(ξ) (ξ)
a) Consider the case of monolayer graphene (MLG). Compute the matrix element hψqλ |V̂|ψq′ λ i
among stationary states belonging to the same valley ξ and band λ.

i) Express your result in terms of the scattering angle Θq,q′ and the Fourier amplitudes
of the potential v(r): v(r) = vk eik·r dr.
R

ii) Show that backscattering is strictly forbidden and briefly explain why this “absence of
back-scattering in MLG” is entirely due to the underlying pseudospin.

b) Repeat the previous question for the case of BLG.

i) Show that, in contrast to MLG, back-scattering processes now provide the dominant
contribution to the scattering rate Γq→q′ .

ii) What scattering processes (scattering angles) are now strictly forbidden? Can you see
how that is related to the fact that the 2-band Hamiltonians of MLG and BLG differ by
the square (ξ p̂x − ip̂y )2 in the off-diagonal terms?

Problem 4 (free solutions for massive Dirac fermions in 2D)

We can break the A–B sublattice symmetry of the honeycomb lattice in monolayer graphene by
setting different local atomic energies on each sublattice: EA 6= EB . In that case, the appropriate
low-energy Hamiltonian can be expressed as
 
Ĥ(ξ) = vF ξσx p̂x + σy p̂y + mvF2 σz p̂z .

where mvF2 ≡ (EA − EB )/2 quantifies the difference in the local atomic energies. (A real example
is a monolayer of hexagonal BN, where one sublattice is occupied by boron atoms and the other
sublattice by nitrogen.) The Hamiltonian above describes massive Dirac fermions in 2 spatial
dimensions.

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a) Show that the energy bands are given by
q
Eqλ = λ (~vF q)2 + (mvF2 )2 , λ = ±,

and the normalized stationary states can be written as

b) It should be clear that, compared to the massless case applicable to graphene, having m 6= 0
(ξ)
brings the pseudospin state uqλ out of the equatorial plane in the Bloch-sphere representation.
Verify that, in the limit vF → 0, the pseudospin points directly at the poles of the Bloch sphere.