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interacting MDF’s in the presence of a Coulomb impurity, above a critical value of β. Interestingly, when a finite
and analyze how the short distance behavior described size cutoff is included in the calculation, we find poles in
above is manifested in a momentum representation. Not the response function, suggesting a quantum phase tran-
surprisingly, we find that the scattering wavefunctions, sition to a state with different charge densities on the
when expressed in a momentum representation, display sublattices, and hence a state with spontaneously bro-
power law behavior at large momentum, with an expo- ken chiral symmetry20,21 . These poles however merge
nent that changes from real to complex for Zβ exceeding together into a branch cut in the thermodynamic limit15 ,
the same critical value found in the real space analy- suggesting a state fluctuating among ones with the chi-
sis. The momentum space analysis in terms of scatter- ral symmetry broken in different possible ways, and no
ing states naturally suggests that one might find simi- mean-field mass gap. This may represent a phase transi-
lar behavior in vertex functions evaluated in the ladder tion that is a precursor to one in which a real gap develops
approximation12 . Ladder diagrams play an important in the spectrum4 .
role in interacting systems because they allow one to in- This article is organized as follows. We begin with a
corporate excitonic correlations in virtual particle-hole study of the single impurity problem in the momentum
pairs that are generated by the interaction. We analyze representation in Section II and identify the signatures
this approximation for a generic four-point vertex func- for the short-distance power law behavior and Coulomb
tion of MDF’s with Coulomb interactions, and find both implosion. With this simpler example to guide us, in Sec-
the non-analytic power law behavior at large momentum tion III we study the ladder approximation to the Bethe-
and a change from real to complex exponent, in this case Salpeter equation for the 4-leg vertex. This approxima-
when β exceeds some critical value. The analysis suggests tion is the many-body analog of the Lippmann-Schwinger
the system undergoes a quantum phase transition at this equation studied in Section II. We show that the ver-
critical value, since the exponent necessarily behaves in tex function has a power law behavior in momentum,
a non-analytic way as a function of the parameter β 13 . and the exponent changes from real to complex above
Interestingly, we shall see that the equations for the ver- a certain value of coupling constant β. The interesting
tex function suggest that this transition is infinite order, properties of the antisymmetric response are discussed
suggesting the transition may be in the same universality in Section IV. Finally, in Section V we focus on the
class as classical two dimensional systems undergoing a density-density response function in the ladder approxi-
Kosterlitz-Thouless (KT) transition14 . mation, and demonstrate the important quantitative ef-
To relate the four point vertex function to measurable fects caused by excitonic correlations.
quantities, we use it to form three-point vertex func-
tions which can then be used to directly compute lin-
ear response functions. Two are of particular interest.
The density response function (equivalently, the density-
density correlation function) expresses the screening re- II. IMPURITY PROBLEM IN THE
sponse of the system to an external potential, including MOMENTUM REPRESENTATION
due to impurities or inhomogeneities in the system. We
find that the non-analyticity of the four-leg vertex does
not present itself in this particular quantity. Neverthe- We begin by discussing the problem of MDF’s in the
less, we demonstrate that exciton effects, as expressed in presence of a Coulomb impurity in terms of scattering
the ladder diagrams, have important quantitative effects states. The standard (Lippmann-Schwinger) equation for
for for doped systems, where we find a strong enhance- scattering states22 takes the form
ment of Friedel oscillations around a charged impurity
relative to the non-interacting case. Z
The other important response function involves the ψ (+) (~x) = ψ (0) (~x) + d2 ~y GDE (~x − ~y )V (~y )ψ (+) (~y ), (1)
charge imbalance between the two sublattices, the an-
tisymmetric response function. (Some results on this
were reported by us previously15 .) Here we indeed find where GDE is the (matrix) Green’s function deter-
non-analytic behavior analogous to the Coulomb impu- mined by the differential equation (DE) (−~vF ~σ · p̂ +
rity problem for non-interacting MDF’s. Although this ε11)GDE (~x) = δ (2) (~x), V (~y ) = Ze2 /²|~y | is the impurity
non-analyticity is apparent at large wavevectors in the potential and ψ (0) is an eigenstate for V = 0. Fourier
four-leg vertex, the absence of length scale in the problem transforming Eq. (1), we have
leads to power law behavior emerging at small wavevec-
tors in the response function. In particular this applies Z
to an impurity placed asymmetrically with respect to the (+) (0) DE d2 p0
ψ (~
p) = ψ (~
p) + G (~
p) p − p~ 0 )ψ (+) (~
V (~ p 0 ).
graphene sublattices, which is known to induce very dif- (2π)2
ferent charge responses on them16–19 . The sublattice- (2)
antisymmetric component of this acquires a power law It is convenient to express the Lippmann-Schwinger equa-
tail, with exponent that changes from real to complex tion in terms of angular momentum states. Introducing
3
(+)
the angular components cause ψα,m (p) to oscillate at small r, with no well-defined
(+)
Z 2π value of ψα,m (r) as r → 0. This leads to an ill-defined
dθp −imθp problem unless a boundary condition for small but fi-
ψm (p) = e ψ(~ p), (3)
0 2π nite r is imposed5 . This suggests that some quantities
X
p − p~ 0 |) = −Ze2
V (|~ e−in(θp~ −θp~ 0 ) fn (p/p0 )/p0 , (4) are sensitive to the short scale cutoff in the problem, a
n behavior which we will see holds true as well for some
Z 2π response response functions when Coulomb interactions
dθ e−inθ
fn (x) = , (5) are included. Using the above analysis as a guide, we
0 2π [1 + x2 − 2x cos(θ)]1/2 now turn to this more complicated problem.
where θp~ is the angle between the vector p~ and the x̂ axis,
and using
III. GENERAL 4-LEG VERTEX
1
GDE (~
p) = 2 [ε11 + ~vF (px σ x + py σ y )], (6)
ε − (~vF p2 ) As we saw in the last section, the signature of Coulomb
implosion in the momentum representation is that the
where σ x and σ y are the Pauli matrices, Eq. (2) may be exponent of the power law of the wavefunction becomes
written in the form complex. The basic physics in Eq. (1) is clear: in a
(+) (0) perturbative expansion in V , the electron can be scat-
ψ1,m = ψ1,m (p) (7) tered arbitrarily many times by the impurity, and the
Z ∞
Ze2 p (+) non-analytic, power law behavior emerges from a su-
− [ε xf−m (x)ψ1,m (xp)dx perposition of all these possibilities. If we substitute
ε2
− (~vF p)2 0
Z ∞ the electron-impurity scattering with electron-hole scat-
(+)
+~vF p xf−(m+1) (x)ψ2,m+1 (xp)dx], tering due to Coulomb interactions, we may expect a
0 many-body analog of both the power law behavior and
(+) (0)
ψ2,m+1 = ψ2,m+1 (p) (8) of Coulomb implosion. The signature of these should
2 Z ∞ be contained in the general 4-leg vertex function in the
Ze p (+)
− [~vF p xf−m (x)ψ1,m (xp)dx electron-hole channel.
ε2 − (~vF p)2 0 To compute this, we note12 that the ladder approxima-
Z ∞
+ε
(+)
xf−(m+1) (x)ψ2,m+1 (xp)dx]. tion to the 4-leg vertex (Fig. 1) has the same structure of
0 multiple scattering of an electron from a hole as does an
expansion of Eq. 1 in powers of V . The Bethe-Salpeter
Motivated by the observation that power law behav- equation resulting from this ladder sum has the form12
ior emerges in the wavefunctions at small distances, we
search for power law solutions at large wavevector. Using Γαβ,γδ (p1 , p2 ; p3 , p4 ) = U (p1 − p3 )δαγ δβδ (13)
the ansatz Z
i d3 q (0)
cα,m + U (q)G(0)αµ (p1 − q)Gνβ (p2 − q)Γµν,γδ (q),
(+)
ψα,m (p) = s for p → ∞, (9) ~ (2π)3
p
where Γ is the vertex function whose arguments are three
and neglecting terms of lower order of p, Eqs. 7 may be momenta [spatial components (momentum) p~ and time
written as component (frequency) p0 ], U (p) = 2πe2 /²|~ p| is the
µ ¶µ ¶ Coulomb interaction, and
1 −ZβIm+1 (s) c1,m
=0 (10)
ZβIm (s) −1 c2,m+1 G(0) (p0 , p~) = (14)
p0 + µ/~ + vF p~ · ~σ
where
Z ∞
(p0 + µ/~) − (vF p~)2 + iδ · sgn(p0 )(p0 + µ/~)
2
Im (s) = x1−s f−m (x)dx. (11) is the time-ordered Green’s function for non-interacting
0
Dirac fermions, and we have allowed the possibility of a
Eqs. 10 will have non-vanishing solutions provided non-zero chemical potential µ.
Following Ref. 12, we introduce two new functions Q
1 − (Zβ)2 Im (s)Im+1 (s) = 0. (12) and χ via the relations
One may easily show that Im (s) has a minimum at Γαβ,γδ (p1 , p2 ; p3 , p4 ) = (15)
s = 3/2 for any integer m, so for Zβ larger than a crit- Z 3
d q
ical (Zβ)c , the solution s to Eq. 12 becomes complex. U (q)Qαβ,γδ (p1 − q, p2 − q; p3 , p4 ),
(2π)3
For m = 0, (Zβ)c = 1/2; for m = 1, (Zβ)c = 3/2, etc.
This change of behavior corresponds to that found in the p, p~ 0 ; P ) =
χαβ,γδ (~ (16)
Z
real space analysis of the Coulomb impurity problem5 . dp0 1 1 1 1
For Zβ > (Zβ)c (for a given m), the complex values of s Qαβ,γδ (p + P, p − P ; p0 + P, p0 − P ).
2π 2 2 2 2
4
where Λ is the momentum cutoff and f denotes a gen- 1.0 1.5 2.0 3.0
eral integrand, and the discretization in each dimension pkF
is done according to the Gauss-Legendre rule23 . Now the
(b)
integral equation is changed to a set of linear equations
and can be solved using any existing subroutine, e.g. the
appropriate routine in the Lapack package. Some exam-
FIG. 2: (Color online) Some examples of power laws from
ples of our results are shown in Fig. 2. As can be seen, solving Eq. (17) numerically. P = 0 and p 0 = kF /2. (a)
the vertex functions follow power law forms, and the ex- β = 0.1 < βc , the solid lines are fits with the model C/p̃s ,
ponents are close to those expected from our asymptotic (0)
where p̃ ≡ p/kF . For <χ1111 we get s = 2.02 from fitting,
analysis, both below and above the critical value of β. (1)
s = 1.95 from solving Eq. (25). For <χ1212 we get s = 3.09
An interesting aspect of these results is that the change from fitting, s = 3.05 from solving Eq. (29). (b) β = 1 > βc .
of the exponent s = s0 + is00 from real to complex at a 0
The solid line is a fit with C cos (s00 log p̃ + δ) /p̃s . The fitting
finite value of β (i.e., s00 is zero for β < βc but is non- gives s = 1.57 and s = 0.78, while Eq. (25) gives s0 = 1.5,
0 00
vanishing for β > βc ) suggests that quantities calculated s00 = 0.60.
from it will have a non-analyticity at βc . However, any
such singularity must be of infinite order. For exam-
ple, if there is a cusp in χ at β = βc , then there would follows that the singular behavior at β = βc – and any
be a contribution of the form Bαβ,γδ (~ p, p~ 0 ; P )δ(β − βc ) phase transition it may represent – is of infinite order, a
in ∂ 2 χ/∂β 2 . Differentiating Eq. (17) with respect to β property it shares with KT transitions14 . In our analysis
twice, and requiring that the coefficients of δ(β − βc ) on of the antisymmetric response below we shall see further
both sides of the equation are the same, we find an equa- hints of a connection to the KT universality class in this
tion for B, system.
The symmetries of the components of χ discussed
p, p~ 0 ; P ) =
Bαβ,γδ (~ (31) above led to a cancellation of the power law behavior in
Z 2
~ d q the density-density response function. This same sym-
+Kαβ,µν (~ p, P ) p − ~q, p~ 0 ; P ).
[U (~q)|β=βc ] Bµν,γδ (~
(2π)2 metry suggests that in a response function of the form
z
σαβ χαβ,γδ , with σ z the Pauli matrix, the power law
This is nothing but a homogeneous version of Eq. (17), should be retained. This represents the response of the
with β [in U (~q)] set to βc . If Eq. (31) has a non-vanishing density difference between the A and B sublattices due
solution, then Eq. (17) would also have a contribution to a potential that is antisymmetric in sublattice index.
from such a solution, and we would expect χ to be di- Any potential that breaks sublattice symmetry will have
vergent at β = βc . Our explicit solutions, both in the a component of this antisymmetric response, so that it is
asymptotic and the numerical analysis, show that this is in principle physically accessible. As we shall show next,
not the case, so that no cusp can be present. Similarly, the antisymmetric response does capture the power law
higher order derivatives of χ also cannot have cusps. It as well as the Coulomb implosion physics.
6
IV. ANTISYMMETRIC RESPONSE q0 = 0 in the second line. Assuming the Coulomb vertex
is given by a ladder sum, the equation determining χ̃ is
[Fig. 4(b)]
We define the antisymmetric response as
Z
i ∞ Γ̃α2 β2 (~k, ~q) = δα2 β2 + (35)
M (~q) = − dt h[m̂z (−~q, t), m̂z (~q, 0)]i , (32) Z
A 0 2 0
d q
X † U (|q~0 |)K̃α2 β2 γ1 γ2 (~k − ~q0 , ~q)Γ̃γ1 γ2 (~k − ~q0 , ~q),
z
m̂z (~q) = σαβ ρ̂αβ (~q), ρ̂αβ ≡ a~ a~k,β , (33) (2π)2
k+~
q ,α
~
k
so that χ̃ satisfies
where A is the area of the sample, repeated indices are
summed, and henceforward we will set ~ = 1. In princi-
χ̃αβ (~k, ~q) = K̃αβα2 α2 (~k, ~q) (36)
ple M (~q) can be determined experimentally by measur- Z 2 0
ing the screening charge induced by an impurity placed d q
+K̃αβα2 β2 (~k, ~q) U (|~q0 |)χ̃α2 β2 (~k − ~q0 , ~q).
asymmetrically with respect to the two sublattices, i.e. (2π)2
anywhere except in the center of a hexagon, or at the
middle point of a carbon-carbon bond. The difference More explicitly, the 11 and 22 components of Eq. 36,
between densities on the two sublattices m̂z is an interest- in the undoped case (µ = 0), are
ing operator because when < m̂z (~q) > is non-vanishing,
there is a dynamically generated Dirac mass20,21 . 1 − e−i(θk −θ+ ) 1
χ̃11 (~k, ~q) = + (37)
~
2(k + |k + ~q|) 2(k + |~k + ~q|)
Z h i
A. Diagrammatic Expansion and Ladder d2 k 0 ~k − ~k 0 ) χ̃11 (~k 0 , ~q) − e−i(θk −θ+ ) χ̃22 (~k 0 , ~q) ,
Approximation U (
(2π)2
1 − ei(θk −θ+ ) 1
The diagrammatic representation for M (~q) is illus- χ̃22 (~k, ~q) = + (38)
trated in Fig. 3(b), along with the summation of ladder 2(k + |~k + ~q|) 2(k + |~k + ~q|)
Z h i
diagrams, Fig. 3(a), representing our approximation for d2 q 0 ~k − ~k 0 ) −ei(θk −θ+ ) χ̃11 (~k 0 , ~q) + χ̃22 (~k 0 , ~q) ,
the vertex function. Notice there are no bubble diagrams U (
(2π)2
in the diagrammatic expansion of M (~q); there are only
irreducible diagrams. Reducible diagrams for this quan- where θk and θ+ are the angular coordinates of the two-
tity turn out to vanish, as we now show. Any reducible dimensional momenta ~k and ~k + ~q respectively. Without
diagram will have at its end an insertion of the form il- loss of generality, we can set qy = 0, from which it is easy
lustrated in Fig. 4(a), in which there is a Coulomb vertex to see that χ̃22 (kx , −ky ; ~q) = χ̃11 (kx , ky ; ~q). When this
Γ̃. This insertion represents a multiplicative contribution is substituted into the last of Eqs. 34 one readily sees
to the diagram of the form that this insertion vanishes. Thus our approximation for
Z M (~q) includes only the irreducible ladder diagrams.
d3 k z
G(0) (k + q)Gβ1 β2 (k)Γ̃α2 β2 (~k, q) (34)
(0)
i σ The calculation of the M (~q) follows steps very anal-
(2π)3 α1 β1 α2 α1
Z ogous to those described for the 4-leg vertex, and were
d2 k z outlined in Ref. 15. The equation for the 3-leg antisym-
≡ σ K̃α β α β (~k, ~q)Γ̃α2 β2 (~k, ~q)
(2π)2 α1 β1 1 1 2 2 metric vertex [Fig. 3(a)] is
Z
d2 k z Z
≡ σ χ̃α β (~k, ~q) d2 q 0
(2π)2 α1 β1 1 1 Γ̃M ~ q) = σz + U (|q~0 |)K̃αβγδ (~k − ~q0 , ~q)
αβ (k, ~ αβ
(2π)2
In these expressions the overhead tilde denotes quantities
× Γ̃M ~ q 0 , ~q).
pertaining to 3-leg vertex. Note also that we have set γδ (k − ~ (39)
7
ÈFHkL, q=0LÈ
Z 102
FHkL, q=0L
2 0
d q ~ q 0 , ~q). 50 Β = 0.3
× U (|~q0 |)χ̃M
γδ (k − ~ (40)
(2π)2 10
1 2
This quantity is related to the susceptibility by
10-10 10-5 1
Z
d2 k z M ~ 10 -2 kL
M (~q) = σ χ̃ (k, ~q). (41)
(2π)2 αα αα 10-10 10-5 1
kL
(a)
B. Solutions at Long Wavelengths
vF M L
0
(0) (0) β
χ̃M (0)
αα (k, ~
q) z
= K̃ααββ σββ + K̃ααββ (k, ~q)
k
Z Λ µ ¶ -5
0 0 k0 M (0)
× k dk f0 χ̃ββ (k 0 , ~q). (42)
k0 k
0.0 0.5 1.0 1.5 2.0
Here we used the superscript (0) to denote the circular Β
component m = 0, and the underlined indices are not (b)
summed over. Note that we have introduced both an
ultraviolet cutoff (Λ ∼ 2π/a, a = lattice spacing) and an
infrared cutoff (k0 ∼ 2π/L, L = linear size of system). FIG. 5: Solutions of Eq. (43) with k0 /Λ = 10−10 . (a) β = 0.5.
M (0)
Defining χ̃M (0) (k, ~q) ≡ σββz
χ̃ββ (k, ~q), in the limit Because the plotted is |F |, the oscillations appear as cusps.
√
q → 0 the solution to Eq. Note the amplitude of the oscillation scales roughly as 1/ k.
¡ (42)
¢ may be written in the
form χ̃M (0) (k, 0) = vF1 k F Λk , where F obeys the inte- Inset: F for β = 0.3. It is clearly a power law except for k
gral equation close to k0 . (b) The antisymmetric response M as a function
of the interaction strength β.
µ ¶ Z Λ µ 0¶ µ 0¶
k β k k
F =1+ dk 0 f0 F . (43)
Λ 2k k0 k Λ
transition into a state with a spontaneously generated
Note that F depends on the ratio k/Λ, a reflection of the M (q → 0) becoming a Dirac mass, i.e., chiral symmetry
fact that the original Hamiltonian has no intrinsic length breaking. However, the positions and weights of these
scale, so (in the limit k0 → 0) k can enter only in this poles are sensitive to k0 , the infrared cutoff due to the fi-
ratio. For k/Λ ¿ 1, one¡easily
¢ confirms that Eq. (43) is nite system size, and merge together in the L → ∞ limit
solved by a power law F Λk ∼ (Λ/k)s , with s going from to introduce a branch cut in F as a function of β. We
real to complex above some critical β. This is precisely discuss the significance of this below.
the behavior we identified in the 4-leg vertex; unlike what
For small but nonzero q, it is interesting to compute
one finds in the density-density response case, the power
the correction ∆M (q) = M (q) − M (0). The equation for
law is not canceled upon forming the 3-leg vertex from
the corresponding ∆F has a form very similar to Eq. (43),
the 4-leg vertex.
with only the “1” replaced by an inhomogeneous term,
Eq. (43) may be readily solved numerically. For small
which is proportional to q 2 /k 2 for k À q. The ∆M (q)
β, the solution is indeed a power law, provided k À k0
resulting from this then vanishes with an exponent that
[see Fig. 5(a) inset]. For large enough β, the solution is
varies with β. The inset of Fig. 6 illustrates a typical re-
consistent with a power law of complex exponent, such
sult for β not too large; the exponent as a function of β is
that F becomes oscillatory with a power law envelope
R d2 k illustrated in the main panel of Fig. 6. One physical con-
[Fig. 5(a)]. Interestingly, M (~q → 0) = (2π) 2 χ̃(k, ~
q → 0) sequence of this is that the difference in charge between
also has a series of divergences [Fig. 5(b)]. Formally, one sublattices for an impurity placed asymmetrically with
may understand the occurrence of these poles by thinking respect to the sublattices will fall off with a β-dependent
of the solution in terms of the inverse of 1 − β L̂, where L̂ power law at large distances, behavior which may be ob-
is the integral operator on the right hand side of Eq. (43). servable with a local scanning probe.
Divergences then occur as β1 crosses successive eigenval- The result illustrated in Figs. 5 and 6 have a num-
ues of L̂. The presence of such poles suggests a phase ber of interesting consequences for interacting electrons
8
where g+ (t) is nonzero only when t ≥ 0 and g− (t) is zeroes and poles only in the upper half-plane. We denote
nonzero only for t ≤ 0. As part of the solution one ob- the roots of the numerator of P (as a function of iω) as
tains both g+ and g− . Defining R(t) = et K(t) we can
now extend the range of integration over (−∞, ∞) as 1 1p
x± = s − ± 1 − 2β. (55)
long as one integrates only g+ : 2 2
One possible choice of s is to make x+ ≥ 0, x− ≤ 0. Let
Z∞ us analyze this case first. This allows us to determine P±
β
g+ (t)− dt0 R(t−t0 )g+ (t0 ) = 1−g− (t) = r+ (t)+r− (t) uniquely.
2
−∞
(50)
iω − x+ iω − x−
where r+ (t) = Θ(t) and r− (t) = [1 − g− (t)] Θ(−t). P+ (ω) = , P− (ω) = . (56)
One can now solve the equation by Fourier transforma- iω − s iω + 1 − s
tion. The crucial point is that since g+ is nonzero only for
Now divide through Eq. (54) by P− (ω) to obtain
nonnegative values, if it vanishes as t → ∞, its Fourier
transform has poles only in the lower half-plane of com-
plex ω, while g− has poles only in the upper half-plane. iω + 1 − s r− (ω + is)(iω + 1 − s)
This gives us the extra information needed to solve for P+ (ω)h+ (ω) = − + .
(iω − x− )(iω − s) iω − x−
both g+ and g− . In general, there is no need for g+ to (57)
vanish as t → ∞, which would correspond to the original The first term on the right hand side has poles in both
function F vanishing as k → 0. In fact, one expects F to half-planes, and we separate them by partial fractions
diverge with a power law as k → 0. To incorporate this
expectation, we define g+ (t) = est h+ (t), with h+ vanish-
ing as t → ∞. The new function h+ satisfies an integral P+ (ω)h+ (ω) = − (s−x− 1)(iω−s)
equation with a modified kernel Rs (t) = e−st R(t)
1 + x− − s
+ + r− (ω+is)(iω+1−s)
iω−x− . (58)
Z∞ (s − x− )(iω − x− )
β
h+ (t) − dt0 Rs (t − t0 )h+ (t0 ) = e−st (r+ (t) + r− (t)). Since the product P+ h+ is guaranteed by construction
2
−∞ to have poles only in the lower half-plane the terms with
(51) the poles in the upper half-plane on the right hand side
We now take the Fourier transform of both sides, using must separately vanish, and we obtain
the explicit form of f˜0 , which corresponds to
Z∞ Θ(t)e(s−x+ )t
1 1 g+ (t) = (60)
Rs (ω) = dteiωt Rs (t) = + . (53) (s − x− )
iω + 1 − s −iω + s
−∞ Note that with the definitions of x± , s drops out of this
The existence of the Fourier transform implies 0 ≤ s ≤ 1, expression. Translating √back to the original variables, we
¡ ¢− 1 + 1 1−2β
but does not choose s uniquely. In general, the choice see that F ∝ Λk 2 2 . It is easily verified that,
of s determines the class of functions which are allowed as assumed in Eq. (45), the integral converges as k → 0.
as solutions, as we will see explicitly below. Now the Thus, the Wiener-Hopf method demonstrates the power
equation becomes law behavior of the solution to the integral equation.
µ ¶ Another choice of s would be to make both x± > 0,
(iω)2 +iω(1−2s)+β/2−s(1−s) yielding a solution which diverges more slowly as k → 0.
(iω−s)(iω+1−s) h+ (ω)
The general solution is a linear combination of both these
1
= − iω−s + r− (ω + is). (54) solutions, and interestingly we see that the equation in
its present form does not uniquely specify a particular
To proceed further we separate the prefactor of h+ on combination. This ambiguity is lifted by introducing a
the left hand side [call it P (ω)] into a product P (ω) = lower cutoff k0 in momentum, corresponding to a finite
P+ (ω)P− (ω), where, by construction, P+ (ω) has zeroes system size. We show below using an alternate method
and poles only in the lower half-plane and P− (ω) has how this leads to a unique solution.
10
2. Solution of Equivalent Differential Equation from the stability analysis of the gapless Dirac equa-
tion with (marginally irrelevant) Coulomb interactions13 .
Eq. (43) can also be solved with the model kernel by This suggests that the ultimate fate of this system at
converting it into a differential equation. strong enough coupling is to become a gapped, excitonic
Differentiating Eq. (43) we get insulator. However it remains unclear from these stud-
ies whether a fluctuating state such as we suggest above
Z 1 µ 0¶
β 1 k may intervene between the two states. It has also been
F 0 (k) = [− 2 dk 0 f˜0 F (k 0 ) noted that in the presence of a high momentum cutoff,
2 k k0 k
Z one may need to add a short-range component to the
1 1 01 electron-electron interaction, which introduces a length
+ dk 0 F (k 0 )]. (61)
k k k scale explicitly into the Hamiltonian of the system. In
particular several studies have concluded that this will
Differentiating this equation, we get take the form of a Gross-Neveu interaction27,28 , which
Z 1 µ 0¶ Z 1 when strong enough leads to a more standard second
00 β 2 0˜ k 0 2 1 order phase transition. Clearly such short-range interac-
F (k) = [ 3 dk f0 F (k ) − 2 dk 0 0 F (k 0 )
2 k k0 k k k k tions may become critical before the long-range Coulomb
1 does and change the character of the transition. While
− 2 F (k)], (62)
k the question of whether this scenario applies to pristine
graphene remains a subject of further research, it is inter-
but from Eq. (61), the first 2 terms in the square brackets esting to note that recent Monte Carlo simulation results4
0
are simply − k2 2Fβ(k) . Therefore the differential equation can be explained in this way. Finally, it is interesting
corresponding to Eq. (43) is to note that an intermediate distance length scale nat-
urally occurs in double layer graphene , the interlayer
2 0 β separation, leading to a very unusual anomalous order
F 00 (k) + F (k) + 2 F (k) = 0, (63)
k 2k parameter for the ground state29 .
which has general solutions of the form
V. DENSITY RESPONSE
F (k̃) = A+ k̃ λ+ + A− k̃ λ− , (64)
√ In this final section we return to another measurable
with k̃ = k/Λ, λ± = −1±γ 2 , and γ = 1 − 2β. The
coefficients A± are determined by substituting Eq. 64 quantity, the density response function. To be concrete
back into the integral equation. This results in power we will use our result to compute the induced charge
law behavior for k À k0 , with exponent λ+ , which goes around a Coulomb impurity, which generates the poten-
from real to complex when β exceeds 1/2. Moreover, tial Ze/²r, where e ≡ |e|. Our procedure is to first solve
M (q → 0) may be evaluated, yielding Eq. (35) numerically, from which we compute the (static)
irreducible polarizability
Λ 2 − 2k̃0γ Z
M (0) = . (65) d2 k
vF 1 + γ − β + k̃0γ (−1 + γ + β) Π(~q) = i K̃β β αα Γ̃β1 β2 (~k, ~q). (67)
(2π)2 2 1
This has poles for β > 1/2 when The density response function is then computed by
√ an RPA sum12 , except that instead of using the non-
p 2β − 1 interacting polarizability we use our irreducible polariz-
2β − 1 ln k̃0 = 2 arctan + 2πn, (66)
1−β ability, which includes excitonic corrections via the ladder
diagrams. The result of this takes the form
with integer n and 0 < arctan (x) < π. Note that the
distance between poles vanishes logarithmically as k̃0 → −Π(q)
D(q) = , (68)
0, as discussed above. Furthermore, for β > 1/2, k̃0γ 1 + Π(q)UC (q)
becomes ill-defined unless an infinitesimal imaginary part
where UC (q) = 2πβvF /q is the Coulomb interaction. Fi-
is introduced in β, so that β = 1/2 becomes a branch
nally, the Fourier transform of the induced electron den-
point for M (0). We interpret this as the signal of a phase
sity is given by
transition in the thermodynamic limit, since M (0) need
not be real and positive beyond this point. δn(q) = D(q)φext (q). (69)
We close this section with a brief discussion of some
recent results. Gamayun et al.27 have studied the possi- In the Coulomb impurity case, the external potential
bility of a gap opening in the spectrum by computing a φext (q) = −ZUC (q).
self-consistent anomalous self-energy in the fermion prop- To find numerical solutions to Eq. (35), we discretize
agator. This analysis yields finite values above a crit- the allowed values of momentum ~k and ~q, and replace in-
ical coupling, albeit one different than that predicted tegrations by sums over the grid of allowed momenta. In
11
doing this, some subtleties arise. Since we cannot retain in Eq. (35) takes the form
an infinite number of momentum points, we must confine
the sums to a finite region, most conveniently taken to K̃αµ>0 ~ q) =
β ,α β (k, ~ (73)
be square. If we use the MDF spectrum and wavefunc- h 1 1 2 2 i
tions (needed to construct K̃) in Eq. 35 in this “Brillouin θ(ε~k − µ) − θ(ε~k+~q − µ) gβ+1 β2 (~k)gα+2 α1 (~k + ~q)
zone”, the former will be periodic but not the latter. The ε~k − ε~k+~q
discontinuity in wavefunctions leads to spurious oscilla-
tions in the final result. In principle this can be overcome θ(ε~k − µ)gβ+1 β2 (~k)gα−2 α1 (~k + ~q)
by simulating the system on a honeycomb lattice and us- +
ε~k + ε~k+~q
ing the full tight-binding spectrum and wavefunctions for
graphene. However, this is numerically costly and unnec- θ(ε~k+~q − µ)gβ−1 β2 (~k)gα+2 α1 (~k + ~q)
essary, because the low energy physics is almost entirely + ,
ε~k + ε~k+~q
determined by the wavefunctions and spectra near the
Dirac cones. Moveover, since Coulomb interactions are where ε~k is the positive eigenvalue of h(~k) and gαβ
± ~
(k) =
relatively weak at short wavelengths, one can neglect the
intervalley scattering, so that it should be sufficient to (η )α (η ) , with η being the eigenvectors of h(~k) cor-
± ± ∗ ±
~
k k β
~ ~
k
consider only one Dirac cone, whereas a simulation of a responding to ±ε~k respectively.
honeycomb lattice would force us to include two due to Because of the step functions, a naive numerical inte-
fermion doubling1 . gration by a discrete summation works poorly, because
the function being integrated is not smooth on the scale
As a compromise we consider models that have simpler of the grid. This problem may be overcome using the Tri-
bandstructures than graphene but still have a Dirac cone. angular Linear Analytic (TLA) method32,33 . We divide
One such model arises in the theory of the surface of a the square Brillouin zone into small squares, and each
topological insulator30,31 , and has the form (~vF = 1) small square is further subdivided into two right trangles
along one of the diagonals. Weights for the integrand can
then be assigned at the corners of the triangles employ-
ing the parameterization formulas in Ref. 3334 . Using
X · σz − iσx ¸
this weighting scheme to approximate the integrals gives
† † σz − iσy
H= ~cn ~cn+x̂ + ~cn ~cn+ŷ + h.c. far better results than a naive lattice sum.
n
2 2
Finally, we note that U (q) in Eq. (35) is better rep-
(70) resented by the RPA screened Coulomb interaction than
X
+m ~c†n σz~cn the bare Coulomb interaction, i.e.,
n
X UC (q)
= ~c~† h(~k)~c~k , (71) U (q) = . (74)
k 1 + ΠRPA (q)UC (q)
~
k
The irreducible RPA polarizability ΠRPA (q) has been cal-
culated by a number of authors (see, e.g. Refs. 35 and
36). For the case of undoped graphene there is no qual-
where itative difference between using screened or unscreened
Coulomb interactions in the ladder rungs, because the
functional forms of U (q) and UC (q) are the same, and
only the effective value of β is renormalized. When µ 6= 0,
h(~k) = (sin kx )σx + (sin ky )σy + (m + cos kx + cos ky ) σz . however, the Fermi surface introduces a length scale into
(72) the problem, allowing genuine screening of the Coulomb
This is a model defined on a square lattice, with each interaction at long distances. This can be modeled by
site supporting a two-component vector of localized or- using a contact interaction on the ladder rungs36,37 al-
bitals combined into annihilation operators ~cn , and with though we find this introduces problems at large wavevec-
the sum over n running through all the lattice sites. The tors, as we describe below.
crystal momentum ~k is measured in units of 1/a, with a Fig. 7 shows the total induced electron number density
the lattice constant. For m = 2, there is a single Dirac in the undoped case, together with the RPA result
point at the center of the BZ, and the spinor structure
in the vicinity of this point is the same as near the Dirac δnRPA (q = 0) ΠRPA (q)UC (q)
πβ
8
points in graphene. Thus we expect this model to repro- = = (75)
Z 1 + ΠRPA (q)UC (q) 1 + πβ
duce the low-energy behavior of graphene. We adopt this 8
model for our numerical solution of Eq. (35). and the non-interacting result
A second subtlety arises in the doped case. For exam- δnnon (q = 0) πβ
ple, when the chemical potential µ > 0, the quantity K̃ = ΠRPA (q)UC (q) = (76)
Z 8
12
PHqLvF a
æ
0.03
reducible polarizability in the doped case, illustrated in 1.0
Fig. 8. For small β, Π is close to the RPA result for MDF 0.02
as expected, except that the for q < 2kF there is a nega-
tive slope, and for q close to the Brillouin zone boundary 0.01
1.6 20 0.16 u 0
0.9
1.5 15 0.14 0.8
0.6
2ΠPHqLvF kF
1.4 10 0.12
PHqLvF a
0.4
5 0.10 0.2
1.3 u 0 0.044
1.0 0.08 0.042
1.2 0 5 10 15 20 0.040
0.8
0.6 0.06 0.038
1.1 0.036
0.4 0.2 0.3 0.4 0.5 0.6
0.2 0.04
1.0
0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 0 1 2 3 4
qkF qa
(a)
0.25
FIG. 10: (Color online) Irreducible polarizability in the ladder
u 0 =1
approximation with contact interaction as the rungs of the
ladders, for MDF in the doped case [Eq. (78)]. ũ0 ≡ u0 kF /vF . 0.20
The inset is the same plot with a larger range of q.
PHqLvF a
0.15
8
6
positive u0 , suggesting an instability in this model which 0.10 4
is absent for the more realistic U (q). 2
We can also obtain results for rungs with contact inter- 0.05 0
actions numerically for our topological insulator surface 0.2 0.3 0.4 0.5 0.6
model, Eq. (70), illustrated in Fig. 11(a). Comparison 0 1 2 3 4
between this and the nearly analytic results for MDF’s
qa
allow us to assess which features may be introduced by
going from the latter to the former. As we can see, the (b)
curves are very similar in overall scale to those when
the interaction is the RPA screened Coulomb interac-
tion (Fig. 8). Note however that the deepening of the FIG. 11: (Color online) Numerical result for the irreducible
polarizability in the ladder approximation with contact inter-
2kF cusp is absent in both the numerical result and the
action as the rungs of the ladders, for the model Eq. (70) in
analytical one, suggesting that our numerical results are the doped case. The insets are the blow-up around q = 2kF .
reasonably accurate at small q. However, we note that (a)ũ0 = 0.2, 0.4, 0.6, 0.8, 0.9; (b)ũ0 = 1.0.
for the largest values of β, extra structure near 2kF de-
velops that appears analogous to what we found in the
Coulomb case. This structure appears only in the result
contact model becomes appropriate. Since this instabil-
for the model Eq. (70), not in the analytical result for
ity appears in the density-density response function this
MDF’s. It is thus reasonable to assume that the analo-
naively suggests that there is a phase transition into a
gous structure in the RPA screened Coulomb interaction
charge-density wave. However, other transitions – spin
case is peculiar to Eq. (70) as well. It is interesting to
or valley density waves, for example – may preempt this
speculate then that one may be able to distinguish the
transition. We leave the nature of such an instability and
Dirac cone in the graphene system from that of at the
its applicability to real graphene as open questions39 .
surface of a topological insulator through such structure
at very large β.
Finally, in Fig. 11(b) we illustrate that divergent
behavior emerges when u0 is sufficiently large, which VI. CONCLUSION
evolves into a double pole from the “hump” structure
below 2kF . This suggests the system becomes unsta- In this work we have investigated excitonic effects
ble for contact interactions of sufficiently large magni- for graphene with Coulomb interactions, as modeled by
tude, a behavior that occurs as we observed above for massless Dirac fermions. We have shown that there is
any u0 when MDF’s are subject to contact interactions. power law behavior in a general 4-leg vertex function in
(Note, however, in this case the instability sets in for the particle-hole channel. The exponent becomes com-
q < 2kF , whereas for contact interactions the instability plex as the coupling constant β is increased above a crit-
occurs at much larger q when the interaction is weak.) ical value. This is analogous to what happens in the
While this behavior is absent in the screened Coulomb problem of a single MDF interacting with a charged im-
interaction case, it is possible that at very small distances purity. This non-analytic behavior can be canceled away
where the atomic orbital physics becomes relevant such a for certain combinations of the vertex function, and we
14
find in particular that it is absent in the density-density sional systems. As mentioned in Ref. 33, when using
response function. It is however retained in a sublattice linear interpolation, the surfaces e = ε(x, y) (in this Ap-
antisymmetric response function. Although the power pendix x ≡ kx and y ≡ ky ) are straight lines and the
law behavior originates due to short length scale physics parameterizations are easily given (with e being one of
(close approaches of particle-hole pairs), it impacts the the parameters). There are two cases: e < ε2 (but larger
physics at large distances because of the absence of a than ε1 ) and e > ε2 (but smaller than ε3 ). The param-
length scale in the Hamiltonian. For finite size systems eterizations are given by Eqs. (14) and (16) in Ref. 33,
the transition appears to be one with broken chiral sym- respectively. For convenience we reproduce them here.
metry, inducing a gap in the spectrum; however, this
interpretation breaks down in the thermodynamic limit.
We speculate that in this case the transition involves the
formation of a mass gap which fluctuates among differ- ~k =~k3 + e − ε3 (~k3 − ~k1 )
ent possible forms, and is a precursor to a true broken ε − ε1
·3 ¸
symmetry state which emerges at still larger values of the e − ε3 ~ e − ε3 ~
coupling β. +u (k3 − ~k2 ) − (k3 − ~k1 ) (A1)
ε3 − ε2 ε3 − ε1
We have also calculated the density response in the lad-
der approximation numerically using a simplified model
Hamiltonian that occurs in the context of topological in-
sulators, which has only one Dirac point and a square for e > ε2 , and
Brillouin zone. The calculation was carried out for both
undoped and doped cases. In the latter case we com-
pared results for RPA screened Coulomb interactions and
contact interactions in the rungs of the ladders. While
we expect the former interaction to be more realistic, ~k =~k1 + e − ε1 (~k3 − ~k1 )
ε − ε1
both interactions in many respects give similar results. ·3 ¸
e − ε1 ~ e − ε1 ~
For Coulomb interactions, we find a strongly enhanced +u (k2 − ~k1 ) − (k3 − ~k1 ) (A2)
cusp in the irreducible polarizability at 2kF , which leads ε2 − ε1 ε3 − ε1
to much stronger Friedel oscillations than expected from
the RPA. We also find a hump-like structure at stronger
interaction scales just below 2kF . For contact interac-
tions this hump evolves into poles with increasing inter- for e < ε2 ; in both cases 0 6 u 6 1.
action strength, whereas no pole is seen for RPA screened
Coulomb interactions in the range of β we have studied. Our goal is to express the integral over a basic triangle
We presented evidence that the extra structure is pe- in terms of the values of ε(x, y) and the integrand at the
culiar to our model Hamiltonian, suggesting it may be three corners of the triangle, i.e.
present at the surface of a topological insulator. Finally,
we note that with contact interactions, MDF’s do con-
tain a pole at larger q for any positive u0 , suggesting a
short wavelength instability. Z 3
X
I(µ) = d2 kθ(ε~k − µ)f (~k) ≈ wi (ε1 , ε2 , ε3 , µ)f (~ki ),
4 i=1
Acknowledgments R (A3)
where 4 means integration over the triangle, wi , i =
This work was supported by the Binational Science 1, 2, 3 are the weights at the three corners (remember
Foundation through Grant No. 2008256 (HAF and JW), that the corners are labeled so that ε1 < ε2 < ε3 ). We
by the NSF through Grant Nos. DMR-1005035 (HAF) will also use the shorthand fi ≡ f (~ki ) below.
and DMR-0703992 (GM), and by the MEC-Spain via
Grant No. FIS2009-08744 (LB). Numerical calculations There are four possibilities regarding the value of µ as
described here were performed on Indiana Universitys compared to ε1 , ε2 , ε3 :
computer cluster Quarry.
(i) µ > ε3 :
APPENDIX A
This is trivial and the result is wi = 0, i = 1, 2, 3.
e= Μ
15
Z 0 Z ε3 Z 1
2A(ε3 − e)
I(µ) ≈ d2 kf (~k(e, u)) = de du f (~k(e, u)) ≡ II (µ), (A4)
µ 0 (ε3 − ε2 )(ε3 − ε1 )
R0
where means integration over the uppermost (light blue) triangle in Fig. 12(a), and the extra factor in the integrand
is just the Jacobian, with A being the area of the triangle 123 (not the shaded triangle).
We intepolate f linearly, i.e.
3
X
f (x, y) ≈ p1 + p2 x + p3 y ≡ pi gi (x, y), (A5)
i=1
where
P3 g1 ≡ 1, g2 ≡ x, g3 ≡ y, and the coefficients pi , i = 1, 2, 3 are determined by solving the equations
i=1 pi gi (xj , yj ) = fj . The result is
p2 and p3 have the same denominator but with the numerator being [(y3 − y2 )f1 + (y1 − y3 )f2 + (y2 − y1 )f3 ] for p2
and [(x2 − x3 )f1 + (x3 − x1 )f2 + (x1 − x2 )f3 ] for p3 .
3
X Z ε3 Z 1 X 3
2(ε3 − e)
II (µ) ≈ Api de du gi ≡ Api II (µ)i . (A7)
i=1 µ 0 (ε3 − ε2 )(ε3 − ε1 ) i=1
Z ε3 Z 1
2(ε3 − e) (ε3 − µ)2
II (µ)1 = de du = , (A8)
µ (ε3 − ε2 )(ε3 − ε1 ) 0 (ε3 − ε2 )(ε3 − ε1 )
Z ε3 Z 1 ½ · ¸¾
2(ε3 − e) e − ε3 e − ε3 e − ε3
II (µ)2 = de du x3 + (x3 − x1 ) + u (x3 − x2 ) − (x3 − x1 )
µ (ε3 − ε2 )(ε3 − ε1 ) 0 ε3 − ε1 ε3 − ε2 ε3 − ε1
· µ ¶¸
(ε3 − µ)2 1 x3 − x1 x3 − x2
= x3 − (ε3 − µ) + , (A9)
(ε3 − ε2 )(ε3 − ε1 ) 3 ε3 − ε1 ε3 − ε2
and II (µ)3 is the same as II (µ)2 but with the x’s replaced by y’s. Finally, we have
w2 and w3 have the same denominator but with the numerator being A[(x1 y3 − x3 y1 )II (µ)1 + (y1 − y3 )II (µ)2 + (x3 −
x1 )II (µ)3 ] for w2 and A[(x2 y1 − x1 y2 )II (µ)1 + (y2 − y1 )II (µ)2 + (x1 − x2 )II (µ)3 ] for w3 .
(iii)ε1 < µ < ε2
R 00 2
In this case, I(µ) ≈ d kf (~k(e, u)) where the integration is over the uppermost (cyan) triangle and the yellow
quadrilateral in Fig. 12(b). The former is approximately the same (to linear order of the size of the basic triangles)
as II (ε2 ), while the latter is
3
X Z ε2 Z 1 3
X
2(e − ε1 )
III (µ) ≈ Api de dugi ≡ Api III (µ)i . (A11)
i=1 µ (ε2 − ε1 )(ε3 − ε1 ) 0 i=1
16
The II (µ)i ’s in the formula given above for case (ii) should be replaced by
Z ε2 Z 1
ε3 − ε2 2(e − ε1 )
II (ε2 )1 + III (µ)1 = + de du
ε3 − ε1 µ (ε2 − ε1 )(ε3 − ε1 ) 0
ε3 − ε2 (ε2 − ε1 )2 − (µ − ε1 )2
= + , (A12)
ε3 − ε1 (ε2 − ε1 )(ε3 − ε1 )
· µ ¶¸ Z ε2
ε3 − ε2 1 x3 − x1 x3 − x2 2(e − ε1 )
II (ε2 )2 + III (µ)2 = x3 − (ε3 − ε2 ) + + de
ε3 − ε1 3 ε3 − ε1 ε3 − ε2 µ (ε2 − ε1 )(ε3 − ε1 )
Z 1 ½ · ¸¾
e − ε1 e − ε1 e − ε1
× du x1 + (x3 − x1 ) + u (x2 − x1 ) − (x3 − x1 )
0 ε3 − ε1 ε2 − ε1 ε3 − ε1
· µ ¶¸
ε3 − ε2 1 x3 − x1 x3 − x2 1
= x3 − (ε3 − ε2 ) + +
ε3 − ε1 3 ε3 − ε1 ε3 − ε2 (ε2 − ε1 )(ε3 − ε1 )
½ µ ¶¾
£ 2 2
¤ 1 £ 3 3
¤ x2 − x1 x3 − x1
× (ε2 − ε1 ) − (µ − ε1 ) x1 + (ε2 − ε1 ) − (µ − ε1 ) + (A13)
3 ε2 − ε1 ε3 − ε1
and III (ε2 )3 + III (µ)3 , which is the same as II (ε2 )2 + III (µ)2 but with the x’s replaced by y’s.
(iv)µ 6 ε1
This case is trivial too, we simply have w1 = w2 = w3 = 1/3.
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The formulas provided in Ref. 33 require some modification the results of the two calculations. See the appendix for
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35
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the corners. If there are grid points where ε~k = ε~k+~q and Phys. 8, 318 (2006).
37
the weights calculated using εi = ε~ki and εi = ε~ki +~q are L. Brey and B. Halperin, Phys. Rev. B. 40, 11634 (1989).
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different (which in general is the case), then the first line See, for example, Ref. 17 and references therein.
39
in Eq. (73) is infinite. To avoid this situation, we set the See, for example, I.F. Herbut, V. Juricic, and B. Roy, Phys.
weights at the 3 corners to 1/3 of the area of a triangle if Rev. B 79, 085116 (2009) and references therein.
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the triangle is fully occupied, i.e. εi ≤ µ, i = 1, 2, 3. After O. Jepsen and O. Andersen, Solid State Commun. 9, 1763
calculating the weights at every grid point, we divide each (1971).
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small square into triangles along the other diagonal and re- G. Lehmann and M. Taut, Phys. Status Solidi B 54 (1972).