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We have studied a generalized three-band crossing model in 2D, the generalized -T3 lattice, ranging from the
pseudospin-1 Dirac equation through a quadratic+flat band touching to the pseudospin-1/2 Dirac equation. A
general method is presented to determine the operator form of the Greens function, being gauge and representation
independent. This yields the Landau level structure in a quantizing magnetic field and the longitudinal and
transversal magneto-optical conductivities of the underlying system. Although the magneto-optical selection
rules allow for many transitions between Landau levels, the dominant one stems from exciting a particle from/to
the flat band to/from a propagating band. The Hall conductivity from each valley is rational (not quantized at
all), in agreement with Berry phase considerations, though their sum is always integer quantized.
DOI: 10.1103/PhysRevB.95.035414
I. INTRODUCTION and in comparison to Eq. (1), many more new terms can be
added to this and masses can be opened in several distinct
Since the first isolation of graphene [1] in 2004 and the
ways [10]. As detailed below, Eq. (2) can be realized in the dice
theoretical prediction and experimental realization of topolog-
or T3 lattice, composed of two 2D honeycomb lattices, which
ical insulators [2,3], the Dirac equation and its variants have
share one sublattice and is sketched in Fig. 1. Experimentally,
started to attract almost unprecedented attention in condensed
the dice lattice can be realized from a trilayer structure of the
matter and related fields. The peculiar spinor structure of the
face-centred cubic lattice, grown in the [111] direction [10].
Dirac equation, which, e.g., stems from the two sublattices
Recently, a novel variant of the T3 lattice structure was
of the 2D honeycomb lattice in graphene, gives rise to many
proposed, coined as the -T3 model, suggested first by Raoux
topology related phenomena such as a Berry phase [1] of ,
et al. [12]. Due to the three nonequivalent lattice sites of
unusual Landau quantization in a magnetic field and the related
the T3 lattice, two nearest-neighbor hopping integrals are
unconventional quantum Hall effect [4], just to mention a few
possible, which, however, need not be equal to each other. The
immediate consequences.
generalized -T3 model is described alternatively by a lattice
The 2D massless Dirac equation possesses the deceivingly
consisting of three layers of triangular lattices with basis atoms
simple form as
A, B, and C and with only intersublattice hoppings between
adjacent layers shown in Fig. 1. By tuning a parameter , which
0 p
HS=1/2 = vF S p = vF , (1) measures the relative strength of the two hopping integrals,
p+ 0
one can interpolate continuously from the S = 1/2 case with a
where vF is the Fermi velocity of the underlying system and completely decoupled flat band to the perfect S = 1 situation,
plays the role of the effective speed of light, p = (px ,py ) i.e., from the physics of Eq. (1) to Eq. (2). The three-band
is the 2D momentum, p = px ipy and S stands for the tight-binding Hamiltonian in the basis A, B, and C is given
spin-1/2 Pauli matrices, which represent the sublattice degree by [7,10,13,14]
of freedom in this instance. Shortly after the discovery of
graphene, this equation was generalized, still in 2D, to arbitrary 0 t1 f (k) 0
pseudospin-S, known as the Dirac-Weyl equation with S now Hdice = t1 f (k) 0 t2 f (k), (3)
representing the (2S + 1) (2S + 1) matrix representations
0 t2 f (k) 0
of the SU (2) algebra, and several lattices have been proposed,
hosting these Weyl fermions [59].
Similarly to other spin-S problems, cases with integer and where t1 and t2 are the hopping amplitudes between adjacent
half-integer spin differ from each other. The ensuing spectrum triangular lattice, and it has further been generalized by
consists of coaxial Dirac cones, crossing each other at the same adding [11,14] an on-site energy term 0 in the middle
Dirac point, and for integer spins, an additional dispersionless layer, arising from, e.g., a real
chemical potential, while
flat band also shows up and crosses the Dirac point. f (k) = 1 + 2 exp(i3ky a/2) cos( 3kx a/2) with k = (kx ,ky )
The simplest integer spin case is the pseudospin-1 Weyl and a is the nearest-neighbor distance in the dice lattice
equation. It has a 3 3 matrix structure as (the distance between sites A and B), and denotes the
complex conjugation. In the original formulation of the model,
0 p 0 t2 /t1 = tan() = was used for parametrization, but we
prefer to use the two hopping amplitudes instead. Although
HS=1 = vF p+ 0 p , (2)
the spectrum itself is independent from , the Berry phase
0 p+ 0 depends continuously on it.
B 0 0 1
U = 0 1 0 and (t1 ,t2 ) (t2 , t1 ). (6)
1 0 0
A
y
x
Note that in case of t1 = t2 and 0 = 0 the contribution from the
two valleys are identical, however, if either of these conditions
FIG. 1. The dice lattice with t1 and t2 hopping amplitude along
are not met, this is not the case. Using the above U , one can
the red dashed and blue solid lines. The on-site energy of the sixfold
easily calculate any operator or Greens function in valley K
connected site B is 0 . There are three atoms A, B, and C in each
from those in valley K, as we do so later on in Eq. (11).
unit cell.
When the on-site energy 0 = 0 (Fig. 2), there are two
special cases for this generalized model: (i) for t1 = t2 , this
The 0 term changes the spectrum of the model, and results equation reduces to the pseudospin-1 Dirac-Weyl model of
in a parabolic band touching a flat band, and an additional Eq. (2) (see Refs. [12,15]) and (ii) for t2 = 0 and t1 = 0 (or the
decoupled parabolic band, as sketched in Fig. 2. The touching other way round) then it corresponds to the pseudospin-1/2
parabolic and flat band realizes essentially the same physics Dirac equation of Eq. (1) (i.e., the graphene) and contains a
as bilayer graphene, which possesses two touching parabola, completely detached flat band.
as was emphasized in Ref. [14]. Then, tuning also the hopping For 0 = 0, on the other hand, the model contains two
integrals t1,2 , the strength of the coupling between the touching parabolic bands, separated by a band gap of size |0 |, and
parabolic and flat band can be continuously tuned. In turn, an additional flat band appear, touching the bottom or the top
this allows us to study single and bilayer graphene physics as of one of the parabolic bands [14], depending on the sign of the
well as the pseudospin-1 Dirac-Weyl equation within the same local on-site energy term, as follows from Eq. (5) (see Fig. 2).
model. The pseudospin-1 Dirac-Weyl equation also describes the
Linearizing
the function f (k) around the K = low-energy excitations in a Lieb lattice, and has been realized
(2/3 3a,2/3a) point in the Brillouin zone we have using photonic waveguides [1618]. Recently, the DC Hall
f (K + k) (3a/2)(kx iky ). Then, the linearized form of response and the optical conductivity without magnetic field
the Hamiltonian (3) for low-energy states (around the K point) of the -T3 lattice were studied in Ref. [15] without the local
reads on-site energy term 0 .
In this paper, we study the effect of quantizing magnetic
0 t1 k 0 field on Eq. (4). After determining the spectrum we present
3a
HK = t1 k+ 0 t2 k , (4) a novel method, which is based on the operator form of the
2 Greens function of the system, which is independent from the
0 t2 k + 0
chosen gauge or representation (i.e., position or momentum).
where k = kx iky . The eigenenergies are To demonstrate the versatility of our method, we calculate the
magneto-optical response of the generalized -T3 lattice, and
reproduce known results along the way for graphene and the
0 02
E0 (k) = 0, E (k) = + vF2 k 2 , (5) pseudospin-1 case with ease.
2 4
where vF = 3a t12 + t22 /2. The resulting dispersion relation
is plotted in Fig. 2. II. THE OPERATOR OF THE GREENS FUNCTION FOR
THE GENERALIZED -T3 MODEL
To obtain the magneto-optical conductivity tensor ()
in magnetic field perpendicular to the plane of the dice
lattice, one needs to calculate the Landau levels (LLs). As
a standard procedure, replacing the canonical momentum by
a gauge-invariant quantity k = k + |e|A one finds
commutation relation [x ,y ] = i / lB , where lB =
2 2
the
is the magnetic length scale, and A is the vector
e|B|
potential such that B = A. By introducing the bosonic
creation-annihilation operators a = lB 2 (x iy ) and a =
FIG. 2. The energy dispersion is sketched in the low-energy limit
of the generalized -T3 model, Eq. (5) for 0 = 0 (left) and 0 > 0.
l
B
2
(x + iy ) we have [a,a ] = 1, and the Hamiltonian in
035414-2
FREQUENCY-DEPENDENT MAGNETO-OPTICAL . . . PHYSICAL REVIEW B 95, 035414 (2017)
Eq. (4) becomes of a trace of the product of the Greens function and other
operators [in this work see Eq. (10b) as an example]. Now
0 1 a 0
an accepted procedure is to use the position representation of
H = 1 a 0 2 a , (7) the Greens function. However, this approach involves com-
0 2 a 0 plicated analytical calculations. Indeed, for example Gusynin
and Sharapov recently have used the position representation
where 1 = (3c/ 2) t1 / lB and 2 = (3c/ 2) t2 / lB are the
of the proper-time expression for the electron propagator for
rescaled hopping elements t1 and t2 , respectively.
graphene [19,20] and bilayer graphene [21] in homogeneous
Inspecting the Hamiltonian we assume that the eigenstate
magnetic field to calculate the magneto-optical conductivity.
is of the form
Using the Schwinger proper-time method [22] they derive
|n, = (C,1 |n 1,C,2 |n,C,3 |n + 1)T , (8) the Fourier transform of the translation invariant part of the
Greens function for single and bilayer graphene and presented
where |n is an eigenstate of the number operator N = a a a rather lengthy and complicated derivation to obtain the trace
with n = 0,1,2, . . . , while the band index is denoted by in the expression of the magneto-optical conductivity tensor.
= 0, 1, and C,i with i = 1,2,3 are coefficients to be Finally, the evaluation of this trace including integrals of the
determined from the eigenvalue problem of Hamiltonian (7). generalized Laguerre polynomials requires further efforts to
The Landau levels En and the corresponding states are given obtain analytical results. As we demonstrate below in contrast
in Appendix A. The Landau levels are different at the K to this approach our results, namely the operator form of the
valley but can be obtained from the above eigenvalues by the Greens function gives an elegant way to calculate the trace
following replacement (1 ,2 ) (2 , 1 ). using only the usual algebra of the creation and annihilation
Now, we derive the Greens function defined by G(z) = operators. We easily carried out the whole calculation for
(z H )1 . In contrast to the usual way where the Greens graphene using our method and found the same results
function is given in position representation, we give the presented in Refs. [19,20].
operator form of the Greens function which is independent To show how effective our method is in this work, we
of any representation. We would like to emphasize that calculate the magneto-optical conductivity tensor for the
the operator form of the Greens function provides a great generalized -T3 model. To this end, we need the operator
simplification in the calculation of different physical quantities of the Greens function. After a lengthy but straightforward
involving the Greens function such as the magneto-optical analytical calculation, we found for the K valley (for details
conductivity. Usually, such quantities are expressed in terms see Appendix B):
1
z
I + 12 (N + 1)fK (z,N + 1) 1 afK (z,N ) 1 2
z
a 2 fK (z,N 1)
GK (z) = 1 a fK (z,N + 1) zfK (z,N ) 2 afK (z,N 1) , (9a)
1 2 2
z
a fK (z,N + 1) 2 a fK (z,N )
1
z
I + 2
2 N fK (z,N 1)
1
where fK (z,N) = z2 0 z 12 N 22 (N + 1) , (9b)
while N = a a is the number operator, and I is the identity Here, is the current-current correlation function (, =
operator. The operator of the Greens function for the K x,y), k = (2k + 1) kB T are the fermionic Matsubara fre-
valley can be obtained by the transformation (6). We should quencies (here kB is the Boltzmann constant, T is the
emphasize that fK (z,N) is an operator but can easily be temperature and k is an integer) and m = 2m kB T are
calculated in the Fock representation. Note that studying the bosonic Matsubara frequencies (m is an integer). The trace
poles of the Greens function we find the same Landau levels can be obtained using the eigenstates of the Landau levels
that are given in Appendix A. given in Appendix A. The sum over the fermionic Matsubara
frequencies k in (10b) can be performed by the usual
III. MAGNETO-OPTICAL CONDUCTIVITY summation method [23]. Finally, the current density operator
j = e H
k
K
with Hamiltonian (4) at the K valley is given by
Using the Kubo formula [23] the magneto-optical conduc-
tivity tensor in the bubble approximation can be obtained from 0 1 0 0 1 0
the operator of the Greens function given by Eq. (9) in the elB ielB
jx = 1 0 2, jy = 1 0 2, (11)
following way: 2 2
0 2 0 0 2 0
( ) (0)
( ) = , (10a) while at the K valley it is given by the transformation (6).
Then, the frequency-dependent magneto-optical conduc-
ikB T tivity tensor () can be calculated from Eq. (10a) using the
where (im ) = Tr(j G(ik + im )
2 lB2 k= usual analytic continuation [23] im + i in the current-
current correlation function (i) given by Eq. (10b), where
j G(ik )). (10b) is the inverse life time of the particle.
035414-3
KOVACS, DAVID, DORA, AND CSERTI PHYSICAL REVIEW B 95, 035414 (2017)
are given in Appendix C. The contribution to the conductivity values of the magnetic field and for , > 0). In particular,
from the K valley is given by the second term in (12) for the transitions from the flat band to the cone band this
indicated by the replacement 12 22 . is
(m+1) 4 m24
e 2 12 + 22 + E + E 1 + + 2
Rexx ( = Em+ /) m+1 m+1 Em1 Em1
+ 1 22 , (13a)
h Em+ Em
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FREQUENCY-DEPENDENT MAGNETO-OPTICAL . . . PHYSICAL REVIEW B 95, 035414 (2017)
for different Fermi energies. Figure 4 shows the conductivities and n = 0 n = 1 for K valley but the quantum number
as a function of the frequency = for three different = 1 does not change.
chemical potential . Finally, we discuss the dependence of magneto-optical
For = 50 K, the transition |n = 1, = 0 |n = 0, = conductivity on external field. It is clear that for B
1 gives the two largest peaks in the conductivity corre- the conductivity should vanish since the distance between the
sponding to the two valleys. While in case of = 500 K Landau levels tend to infinity. The formula for the low-field
the transition |n = 0, = 1 |n = 1, = 1 provides the limit is obtained by introducing the variable = En+ 0 /2
largest peaks in the conductivity. Finally, for = 700 K, the and replacing the summation over n into a integral as
Landau level indices change as n = 1 n = 2 for K valley follows:
2
+ 2 cos2 (2) nF 20 nF 20 +
0
nF (0) nF 20 +
2ie2
xx = d 2
+ sin (2)
2
2
h 0 /2 2 2 42 2 20 +
2
nF (0) nF 20 2 20 nF 20 nF 20 +
2 + , (15)
2 0 2
2
where tan = t2 /t1 . In case of = /4 (i.e., when t1 = t2 ) conductivity tensor ) can also be written as the sum of
and 0 = 0, Eq. (15) transforms into Eq. (21) of Ref. [10] and terms corresponding to intraband and interband transitions.
in case of = /2 (graphene) and 0 = 0 into Eq. (13) of After a lengthy but straightforward analytical calculation,
Ref. [20]. we find
As far as intermediate magnetic fields are concerned, the
height of the peaks and their positions can be determined
from the results given by Eqs. (C1). For simplicity, here K, K, K,
xy () = xy,f c + xy,cc,inter + xy,cc,intra
we only consider the case 1 = 2 . In fact, the pattern for
=
general hopping amplitudes is rather cumbersome as peak
energies corresponding to different transitions might coincide + 12 22 , (17)
(approximately) and producing a higher peak together (see
Fig. 5), even for very small values of the scattering rate. Let
us consider the case when 0 < < E0+ so that we do not K, K, K,
have to deal with the single intraband transition. It is also where xy,f c , xy,cc,inter , and xy,cc,intra are the contribu-
allowed to neglect cone-to-cone interband peaks according to tions to the total transversal conductivity from the interband
the arguments above. However, we should be careful when transitions between the flat band and a cone, the interband
we consider the low-field limits since in this case the main transitions between cones, and the intraband transitions (within
contribution to the peaks in the conductivity results from the cones) in the K valley, respectively and are given in
more than one transitions between the LLs. The value of Appendix C. The contribution to conductivity from the K
the real part of the longitudinal conductivity tends to the low valley is given by the second term in (17) indicated by the
magnetic field limit that can be determined from the integral in replacement 12 22 .
Eq. (15). Figure 6 shows the Hall conductivity (the imaginary part
Therefore main characteristics of the oscillation of the of the off-diagonal component of the conductivity tensor) as
longitudinal conductivity as a function of the magnetic field a function the frequency for different chemical potential (in
is mainly governed by the transitions between the flat band panel a) and for different hopping amplitudes (in panel b).
to cone levels. For a fixed value of frequency , the mth When 0 < < E0+ in a valley (blue solid line) then there
peak (starting is no intraband transition so peaks in the conductivity result
1/2 from the left-hand side in Fig. 5) occurs at only from flat band to cone and cone to cone transitions. In this
Bm = 2m + 1, where = 1 / B independent of the
magnetic field. So the distance between peaks decreases as the case, there is a negative peak (around 400 K in the figure)
difference of the square root of two neighboring odd numbers. corresponding to the transition |n = 1, = 0 |n = 0, =
The amplitude of the oscillations is given by Eqs. (13a) 1. All the other peaks corresponding to other flat band to cone
and (13b), which implies that for large enough magnetic field transitions are positive. Small negative peaks (around
the peaks in the longitudinal conductivity tends to 300 K in the figure) due to interband cone to cone transitions
are also present. However, if E0+ < < E1+ (red dashed line),
e 2 2 Bm then the aforementioned negative peak from flat band to cone
Rexx ( = Em+ /) , (16)
h transition disappears, while another negative peak appears due
to an intraband transition.
which is proportional to the position of the peaks Bm .
The height of a peak at frequency corresponding to a
transition with energy E is approximately the weight
B. The transversal conductivity factor of the term (E) 1
2 +2 (again, for not too small values
Similarly to the case of longitudinal conductivity the of the magnetic field and for , > 0). The heights of positive
transversal conductivity (off-diagonal component of the peaks (flat band to cone transitions) fall rapidly in both cases
035414-5
KOVACS, DAVID, DORA, AND CSERTI PHYSICAL REVIEW B 95, 035414 (2017)
e2 12 2m + 1
Imxy ( = Em+ /) . (18b)
FIG. 4. The real part of the longitudinal conductivity (in units of hEm+ 4m2 + 4m 3
2
e / h) as a function of the frequency (in units of K) for Fermi energy
= 500 K [blue line, (a)] which is in the gap, = 730 K [black line, It is also worth noting that when 1 = 2 then the
(b)] which lies between the Landau levels n = 0 and n = 1 in the K first negative flat band to cone peak splits into two peaks
valley and in the gap in the K valley, and = 850 K [red line, (c)], (corresponding to K and K valleys, respectively) as shown
which is between the Landau levels n = 0 and n = 1 for both valleys. in Fig. 6(a) around 250 K. If the difference between the
The parameters are T = 10 K, 0 = 500, 1 = 350 K, 2 = 450 K, two hopping amplitudes are large enough then it might occur
and = 5 K. For the first few peaks, the corresponding transitions that one of these two peaks becomes positive as can be seen in
are assigned in the form of |n, |n , . Fig. 7 exactly at = 300 K.
035414-6
FREQUENCY-DEPENDENT MAGNETO-OPTICAL . . . PHYSICAL REVIEW B 95, 035414 (2017)
Similarly, it is easy to check that the peaks corresponding to cone-to-cone interband and intraband transitions are always
+
negative. The heights of peaks for interband cone-to-cone transitions ( = Em+1 Em = Em+ Em+1 ) are
2 2 2
2 (m + 1) 1 Em + 2 Em+1
+ e
Imxy ( = (Em+1 Em )/) + 12 22 (19)
h = Em Em Em+1 Em+1 Em Em+1 Em Em+1
and for intraband transitions
+
2
+ e2 (m + 1) 12 Em+ + 22 Em+1 2
Imxy ( = (Em+1 Em )/) + + 1 2 .
2
(20)
h (Em+ Em )(Em+1
+ + + +
Em+1 )(Em Em+1 )(Em+1 Em )
Finally, we consider the transversal conductivity in the dc where FnK = nF (En+ ) + nF (En ) and En are the energy levels
limit ( = 0) and at zero temperature. In this case we obtain
for the K valley, and FnK is the same as FnK with energy
the usual Hall conductivity. From Eq. (C2), we can find the levels for the K valley. Our valley resolved results for 0 =
contribution from the K and K valleys as 0 differ from those in Ref. [15], obtained using the Streda
formula. although the total, K + K contributions do agree.
e2 12 22
xy =
K
F (0) 2 K
Fn , (21a) Note that the Streda formula calculation also fails to reproduce
h 12 + 22 n=0 the half-integer quantized Hall response of graphene though.
Here the spin degeneracy is taken into account. Thus the total
e2 22 12 contributions from K and K valleys can be rewritten as
K K
xy = F (0) 2 Fn , (21b)
h 12 + 22
2e2 K
n=0
xy (,B,T ) = xy
K
+ xy
K
= Fn + FnK . (22)
h n=0
035414-7
KOVACS, DAVID, DORA, AND CSERTI PHYSICAL REVIEW B 95, 035414 (2017)
FIG. 9. The transversal conductivity (in units of e2 / h) in dc limit To obtain the operator of the Greens function for the
( = 0) as a function of the Fermi energy (spin degeneracy factor Hamiltonian H given by Eq. (7), we partitioned the operator
included!). Insets (upper right and lower left) show the contributions z H as
from the K and K valleys, respectively. The parameters are T =
z 1 a 0
0.01 K, = 5 K, 0 = 600 K, 1 = 300 K, 2 = 500 K for the red A B
z H = 1 a
z 0 2 a . (B1)
dotted line and 0 = 600 K, 1 = 2 = 412 K for the blue solid line, C D
so that 12 + 22 has the same value for the two cases. 0 2 a z
035414-8
FREQUENCY-DEPENDENT MAGNETO-OPTICAL . . . PHYSICAL REVIEW B 95, 035414 (2017)
TABLE I. Landau levels and eigenstates for valley K. Each levels are labeled by the Fock number n and a band index . The normalization
12 12
factors are n = (12 n + 22 (n + 1) + (En )2 ) for = and n0 = (12 n + 22 (n + 1)) for = 0.
n, En |n,
0 2 T
n > 0, = 1 En1 = 0
+ + 12 n + 22 (n + 1) n1 (1 n|n 1,En1 |n,2 n + 1|n + 1)
2 2
T
n > 0, = 0 En0 =0 n0 (2 n + 1|n 1,0,1 n|n + 1)
2 T
n = 0, = 1 E01 = 0
2
+ 20 + 22 01 (0,E01 |0,2 |1)
n = 0, = 0 E00 = 0 (0,0,|0)T
Then we apply the general formula for the inverse of a 22 1 2 2
partitioned matrix S 1 CA1 = a f (z,N + 1), 2 a f (z,N ) ,
z
1 1 (B4c)
A B A + A1 BS 1 CA1 A1 BS 1
= , 1 1
+ A BS CA 1 1
C D S 1 CA1 S 1 A
(B2)
1
I + 12 (N + 1)f (z,N + 1) 1 af (z,N)
= z
, (B4d)
where S = D CA1 B and the operators A and S can be 1 a f (z,N + 1) zf (z,N )
inverted. This is often called in the literature the Banachiewicz 1
inversion formula [25,26]. where f (z,N) = [z2 0 z 12 N 22 (N + 1)] .
The inverse of operator A defined in (B1) can also be Here we have made use of the following identities:
calculated from formula (B2) and after a simple algebra we
find a f (z,N) = f (z,N + 1) a , (B5)
(z 0 ) p(z,N + 1) 1 a p(z,N) a f (z,N ) = f (z,N 1) a. (B6)
1
A = , (B3)
1 a p(z,N + 1) z p(z,N ) Finally, substituting the terms given by Eqs. (B4) into Eq. (B2),
1
we obtain the operator of the Greens function G(z) =
where p(z,N) = (z2 0 z 12 N ) and N = a a is the (z H )1 as given by Eq. (9). For the case of K valley, the
number operator. Now using (B3) and the general formula (B2) Greens function can be obtained by the transformation (6).
the matrix elements of the inverse of matrix in (B1) can be
calculated analytically, and we find
APPENDIX C: EXPRESSIONS FOR THE LONGITUDINAL
AND TRANSVERSAL CONDUCTIVITIES
1
S 1 = I + 22 Nf (z,N 1) , (B4a)
z Using the operator form of the Greens function given by
Eq. (9) and the current operators (11), and performing the Mat-
a f (z,N 1)
1 2 2
A1 BS 1 = z
, (B4b) subara summation in (10b) the magneto-optical conductivity
2 af (z,N 1) can be calculated analytically. Then the longitudinal conduc-
tivity is given by Eq. (12) in which the different terms reads
+ E + E2 1
4
2 + 2 + (n+1) n 4
2 +
1
K, ie 1 2 E E 1
xx,f c () =
n+1 n+1
n1 n1
+
nF (0) nF En , (C1a)
h n=0 En En En + En
2
ie2
K, (n + 1) 12 En + 22 En+1
xx,cc,inter () =
h n=0 En En En+1
En+1 En En+1 En En+1
1 1
+
nF En+1 nF En , (C1b)
+ En En+1 En + En+1
2
ie2
K, (n + 1) 12 En + 22 En+1
xx,cc,intra () =
h n=0 En En En+1 En+1 En En+1 En+1 En
1 1
+
nF En nF En+1 , (C1c)
+ En En+1 En + En+1
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KOVACS, DAVID, DORA, AND CSERTI PHYSICAL REVIEW B 95, 035414 (2017)
Similar calculations leads to the Hall conductivity given by Eq. (17) in which the different terms are
E + E 1 1
n24 (n+1) 4
e2 2 1 + En1
2 2
K,
+
En1 1
xy,f c () =
n+1 n+1
nF (0) nF En , (C2a)
h n=0 En En En + En
2
e2
K, (n + 1) 12 En + 22 En+1
xy,cc,inter () =
h n=0 En En En+1 En+1 En En+1 En En+1
1 1
nF En+1 nF En , (C2b)
+ En En+1 En + En+1
2
K, e2 (n + 1) 12 En + 22 En+1
xy,cc,intra () =
h n=0 En En En+1 En+1 En En+1 En+1 En
1 1
nF En nF En+1 , (C2c)
+ En En+1 En + En+1
where nF (E) = 1/(e(E)/(kB T ) + 1) is the Fermi distribution function, is the Fermi energy, and = + i.
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