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Landau levels and magneto-optical responses in Weyl semimetal quantum wells in a

non-uniform magnetic field


Le T. Hoa,1 Le T. T. Phuong,1 S. S. Kubakaddi,2 Nguyen N. Hieu,3, 4 and Huynh V. Phuc5, ∗
1
Department of Physics, University of Education, Hue University, Hue 530000, Vietnam
2
Department of Physics, K. L. E. Technological University, Hubballi-580 031, Karnataka, India
3
Institute of Research and Development, Duy Tan University, Da Nang 550000, Vietnam
4
Faculty of Natural Sciences, Duy Tan University, Da Nang 550000, Vietnam
5
Division of Theoretical Physics, Dong Thap University, Cao Lanh 870000, Vietnam
(Dated: August 3, 2022)
We study the Landau level (LL) structure and magneto-optical responses in the Weyl semimetal
(WSM) quantum well in the presence of a non-uniform magnetic field (NUMF). The number of LLs
in the NUMF is found to be finite, and the LL structure of the system is significantly affected by
the inhomogeneity of the magnetic field. The adding electric field significantly affects the separation
of the two Weyl nodes in momentum space. We investigate the role of the inhomogeneity of the
magnetic field, temperature, electron density, and electric field, as well as the doping level on the
optical response properties. Both longitudinal and Hall susceptibilities in the (x, y) plane and the
longitudinal susceptibility in the z-direction display a series of peaks whose height and spacing
decrease with the increase of the LL-index. At T 6= 0, thermal excitation triggers new transitions,
which are forbidden by the Pauli blocked at T = 0. The optical response spectra are different
when the chemical potential lies in different energy regions, which are strongly dependent on the
inhomogeneity of the magnetic field, electron density, and electric field. Our study provides a possible
way to control the optical response spectrum in WSM materials by changing these parameters.

I. INTRODUCTION optical conductivity in an isolated Weyl node is shown


a series of asymmetric peaks in both without [16] and
A Weyl semimetal (WSM) is an interesting material with quadratic terms [17]. The magneto-response in
class whose low energy is described as massless chi- the z-direction has been found to be comparable with
ral fermions, named Weyl fermions. The WSMs have that in the (x, y) plane [5]. Along with this, the exis-
been demonstrated to be charged even at room temper- tence of chiral anomaly [22] sets WSM apart from other
atures [1–3], and be a critical topological phase of mat- two-dimensional (2D) monolayer materials [23–29]. The
ter, besides topological insulators [4]. The low energy electronic properties of the WSM in the presence of a
bands of the WSM have also displayed a linear disper- UMF have been studied in great detail using a minimal
sion whose the conduction and valence bands touch each model [5, 18, 30]. However, the effect of the non-uniform
other at isolated Dirac points, named the Weyl nodes. magnetic field (NUMF) on the wave functions, the en-
These nodes always appear in pairs and have opposite ergy spectrum, and the magneto-optical properties of the
chiralities, acting as the beginning and end points of WSM has not yet received sufficient research attention.
the Berry curvature in the momentum space [5, 6]. In It is well-known that in the NUMF case, the energy
WSMs, both inversion and time-reversal symmetries or spectrum and wave function have many different char-
either one of them is broken [1, 7]. If both of these sym- acteristics in comparison to those in the UMF one [31].
metries are protected, the Weyl nodes will be degener- Theoretically, different kinds of NUMF have been stud-
ated [8], and the system should be referred to as the Dirac ies in 2D electron gas [32, 33]. Experimental strategies
semimetal whose typical representatives are Na3 Bi [9] or for creating such NUMF can be found in a review by
Cd3 As2 [10]. Recently, Weyl semimetal has been pre- Nogaret [34]. According to that, such NUMF can be
dicted theoretically [11, 12] and observed experimentally implemented by using micromagnetic, superconducting
in TaAs [13]. This new material is expected to have many elements, and non-planar 2D electron gas. While a mi-
useful applications in electronics and computing due to croscopical NUMF can be obtained by fabricating micro-
its high mobility of charged Weyl fermions [14]. magnets in the proximity of a 2D electron gas, super-
When a uniform magnetic field (UMF) is applied to conducting elements [35] could be used to screen applied
the system, the linear dispersion electronic states are magnetic fields using the Meissner effect [34]. Another
quantized to a set of discrete energy levels, which has type of NUMF is the magnetic step, which can be ob-
been observed in Cd3 As2 [15]. Studying the optical tran- tained by overgrowing heterojunctions on a non-planar
sitions between these LLs allows us to determine the substrate [36]. The magnetic field generated by this sys-
distance between the LLs, thereby defining the charac- tem will have the following characteristic: it has a finite
teristics of fermions in the materials [5, 16–21]. The value at the facet and is zero everywhere else.
Among different types of NUMF, the exponentially de-
caying magnetic field (EDMF) is one of the most pop-
∗ Corresponding author: hvphuc@dthu.edu.vn ular [37, 38], where the analytic solutions for a Dirac
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electron have been obtained in several systems such as the WSM displays a topological phase [5, 18], similar
quantum wells [39], monolayer graphene [31, 40], bilayer to that observed in silicene [43, 44]. When the elec-
graphene [41], and monolayer black phosphorus [42]. Ac- tric field is increased such that γ < 1 (see Figs. 1(b)),
cording to that, the wave functions of electrons in the the system still remains in a topological phase but with
EDMF are not expressed by the Hermite polynomials the intersections being now changed to kz = ±ka with
but by the Laguerre polynomials and the number of ka = (kc2 − ∆z /Ma )1/2 = kc (1 − γ)1/2 . This topological
their corresponding LLs energies is finite. This makes property can be characterized through the nonzero Chern
the magneto-optical response properties of the systems number [45], which is nonzero (zero) in (out) the range
placed in the EDMF to have many interesting features, of −ka < kz < ka [46]. When γ = 1 (see Figs. 1(c)), the
and need to be studied in more detail. In particular, two nodes are converged into one, the two bands intersect
such an EDMF can be produced by parallel applying a at only one node, and the system displays a special type
UMF to one planar surface of a superconductor, then an of phase, which is related to the valley-polarized metal
EDMF will occur inside the superconductor within the phase in silicene [47]. As γ continues increasing further
penetration depth λ [39, 41, 42]. This design can be used with γ > 1 (see Figs. 1(d)), the two bands become com-
to consider a NUMF in our system. pletely separated with a finite gap, and the system will be
In this work, we present a calculation of the suscepti- no longer a semimetal but a semiconductor. In this work,
bilities of WSM quantum well (QW) in the presence of we mainly focus on the semimetal phase of the system,
a NUMF. We study the contribution of the electric field where γ < 1.
to the energy spectrum of WSM, which is described by
a two-node model [5, 18, 30]. It has been shown that
the distance between the two Weyl nodes is significantly B. Landau bands
dependent on the electric field. We study the influence of
the temperature, the magnetic field penetration, electron
density, the electric field, and polarization orientation of In this work, we consider a QW with a width Lz in
the light on the longitudinal and Hall susceptibilities in the z-direction, which is taken to be of Lz = 100 nm for
the (x, y) plane and in the z-direction in both cases doped the numerical calculations. Applying an infinite potential
and undoped WSMs. V (z) = ∞ outside the QW, the wave vector in the z-
direction becomes kz = ±(nz π/Lz ) with nz = 1, 2, 3, . . ..
In this case, the total wave-functionp can be written as
II. MODEL AND FORMALISM ψ = φnz (z)ψ(x, y), where φnz (z) = 2/Lz sin(nz πz/Lz )
is the wave-function in the z-direction. In the presence of
A. Minimal model a NUMF B = (0, 0, B(x)), the wave vector k is replaced
by k → π/~ = k + eA/~ under the Peierls replacement
We start with the Hamiltonian by the minimal model
for a WSM [5, 18, 30]

H0 = ~vF (kx σx + ky σy ) + Ma (kc2 − k 2 )σz , (1)

where vF is the Fermi velocity in the (x, y) plane with


~vF = 2.5 eV Å; k = |k| with k = (kx , ky , kz ) be-
ing the wave vector; σx , σy , and σz are the Pauli ma-
trices; kc = 0.1 Å−1 and Ma = 10 eV Å2 are the
model parameters [18]. Applying a uniform electric field
E = (0, 0, −Ez ) to the system, the dispersion of energy
bands of the system is found to be
q
E± = ± (~vF )2 (kx2 + ky2 ) + [Ma (kc2 − k 2 ) − ∆z ]2 , (2)

where ∆z = eEz Lz with Lz being the length of the sys-


tem in the z-direction. At kx = ky = 0, the energy
dispersion (2) reduces to E± = ±|M0 (kc2 − kz2 ) − ∆z |.
In Fig. 1, we show the energy spectrum as a func-
tion of kz at kx = ky = 0 for different values of the
electric field, which is described through a dimension-
less parameter γ = ∆z /(Ma kc2 ). In the absence of
electric field, γ = 0 (see Figs. 1(a)), the two bands FIG. 1. Energy spectrum as a function of kz at kx = ky = 0
E+ and E− intersect at two nodes (0, 0, ±kc ). In the for different electric fields (∆z = γMa kc2 ). The panels (a),
range between the two nodes, i.e., −kc < kz < kc , (b), (c), and (d) are for γ = 0, 0.5, 1 and 2, respectively.
3

with the Landau gauge A = (0, Ay , 0). Considering both HaL HbL
electric and magnetic fields, the Hamiltonian becomes 0.2 0.2

H0 = vF (πx σx + πy σy ) + Mn σz 0.1 0.1


 
Mn −i~vF (∂x + W )

p HeVL
= , (3) UMF UMF
i~vF (−∂x + W ) −Mn 0.0 0.0 B0 = 8 T

nz
En,
where Mn = M√a (kc2 − kz2 ) − (2Ma /αc2 )(n + 1/2) − ∆z .
-0.1 -0.1
Here, ωc = vF 2/αc , αc = (~/eB(x))1/2 is the mag-
netic length, and W = ky + eAy /~ is the superpoten-
tial function [48]. In this work, we consider two differ- -0.2 -0.2
kz = 0
ent forms of magnetic fields: uniform and non-uniform
ones. We firstly present the results for the Weyl-Dirac 0 2 4 6 8 10 12 14 0 10 20 30 40 50
equation, H0 ψ = Eψ, for which the Hamiltonian is B0 HTL nz
shown in Eq. (3). To do that, we puse the wave-function HcL HdL
0.2 0.2
for η state |ηi ≡ ψ = (eiky y / Ly )φnz (z)ψ(x) where
ψ(x) = {ψ+ (x), iψ− (x)}T is the wave-function in the x-
direction with T being the transpose operator. 0.1 0.1

p HeVL
NUMF NUMF
0.0 0.0 B0 = 8 T
1. Uniform magnetic field

nz
En,
-0.1 -0.1
Consider the case where a UMF B(x) = B0 is applied
to the system, then we have Ay = B0 x. The energy levels
corresponding to the Hamiltonian in Eq. (3) have three -0.2
kz = 0
-0.2
degrees of freedom {η} = {n, p, nz }, which are given as
0 2 4 6 8 10 12 14 0 10 20 30 40 50
follows, for n ≥ 1,
B0 HTL nz
p
Eηu ≡ En,p
nz ,u
= p n(~ωc )2 + Mn2 ≡ pEnnz ,u , (4)
FIG. 2. (a) and (c) LLs energy as a function of B0 at nz = 1;
where the superscript u denotes the UMF case, n and p (b) and (d) LLs energy as a function of nz at B0 = 8 T, for
the UMF and NUMF cases, respectively. The blue curves
stand for the LL and the band (conduction or valence)
are for n = 0 LL. The magenta and red curves depict the µ
indices, respectively. The corresponding eigenstates are at T = 0 K: the solid, the dashed and dotted curves are for
 n ,u u  ne = n0 , 2n0 and 3n0 , respectively. The other parameters are
nz ,u An,p
z
φn−1 (x) γ = 0.5 and λ = 50 nm.
ψ(x) ≡ ψn,p = nz ,u u , (5)
ipBn,p φn (x)

where where λ is the magnetic field penetration. In this case,


  we have Ay = −B0 λ(e−x/λ − 1). Using the technique
1 −(x−x0 ) 2
/2α2c x − x0
φun (x) = p √ e Hn (6) of supersymmetric quantum mechanics [31, 48, 49], the
2n n!αc π αc energy levels for the NUMF case are given by
s 
are the normalized oscillator functions centered at n

d nz ,d
x0 = αc2 ky . The normalization coefficients are Eη = En,p = p n 1 − [~ωc (x0 )]2 + Mn2 , (9)
2ξ0
s s
pEnnz ,u + Mn pEnnz ,u − Mn where ξ0 = λky + eB0 λ2 /~ = [λ/αc (x0 )]2 . We can see
Ann,p
z ,u
= nz ,u
, Bn,p = . that when λ → ∞, ξ0 → ∞, the energy level in Eq. (9)
2pEnnz ,u 2pEnnz ,u
(7) reduces to its form of the UMF shown in Eq. (4). The cor-
responding eigenstates also have the same form as shown
For n = 0, E0nz ,u = −M0 and ψ0nz ,u = (0, φu0 )T . in Eq. (5) but with superscript u replaced by d, and
s
(2β)n! −X/λ̄
d
φn (x) = (2ξ0 )β e−βX/λ̄ e−ξ0 e
2. Non-uniform magnetic field λ̄αc (x0 )(n + 2β)!
 
× L2βn 2ξ0 e−X/λ̄ , (10)
For the NUMF, we consider an EDMF [31, 37–42]

−x/λ
where λ̄ = λ/αc (x0 ) = ξ0 , X = (x − x0 )/αc (x0 ),
B(x) = B0 e , (8) β = ξ0 − n, and Lm
n (x) are the associated Laguerre poly-
4

nomials. Here, gs = 2 is the spin degeneracy. We see that the µ


In Fig. 2(a) and Fig. 2(c), we show the LLs energy for increases with the increase in the carrier density.
uniform and non-uniform magnetic fields, respectively,
at nz = 1 as a function of B0 . Here, we have denoted
n0 = 5 × 1023 m−3 for the convenient purpose. In the C. Magneto-optical responses
uniform
√ magnetic field case, the LLs spectrum displays
a B0 behavior with a gap of M0 + M1 , whose value is When the WSM system is excited by an incident light
0.1 eV at B0 = 0. This feature of the LLs spectrum in E(t) of energy ~ω, the total Hamiltonian is written as
WSM is similar to those of the gapped-graphene [23] or
silicene [24–26] rather than TMDCs [27–29]. Note that in H = H0 + H1 (13)
the UMF case, all the LLs start at B0 = 0. Meanwhile, in
the NUMF case, the LLs spectrum is also proportional to where the unperturbed Hamiltonian part H0 is given in

B0 , but the LLs start at different values of B0 , named Eq. (3), and [28, 50]
B0s . The higher the order of the LLs (i.e., the bigger the
value of LLs index n), the larger the value of B0s , similar H1 = −d · E(t), (14)
to that in graphene [31] and black phosphorus [42]. This
is the interaction Hamiltonian part with d = −er being
stems from the fact that in the NUMF case, the number
the dipole moment operator. Here, r = (x, y, z) is the
of energy levels is finite. The number of LLs, Nmax , is
nz ,d 2 3D position operator. For the j-direction (j = x, y, z),
found from the condition that [En,p ] < V± (X → ∞),
2
 2  using the relation dj,κ 0 j,κ
η→η 0 = hη |d|ηi = δky ,ky0 δnz ,n0z dn,n0 ,
where V± (X) = (~vF ) W ± ∂x W is the effective po-
√ we have
tential [40], which leads to Nmax = Int[ξ0 − s 2ξ0 ] + δ.
Here, s = M0 /~ωc (x0 ), Int[b] means the integer part of hψnn0z,p,κ0 |[j, H0 ]|ψn,p
nz ,κ
i
b, and δ = 0 (1) for the conduction (valence) band. The dj,κ
n,n0 = −e , (15)
Eηκ − Eηκ0
difference in the value of the Nmax in the conduction and
valence bands is from the existence of the 0LL, which is where the superscript κ = u, d for the UMF and NUMF,
located in the valence band and breaks the electron-hole respectively. Using the commutators [x, H0 ] = i~vF σx ,
symmetry in WSM. For the fixed parameters shown in [y, H0 ] = i~vF σy , and [z, H0 ] = −2ikz Ma σz , we have
Fig. 2, we have Nmax = 30 (31) at B0 = 8 T for the  
conduction (valence) band. It should be noted that, un- x
 
y ,κ e~vF h nz ,κ nz ,κ 1
like in bilayer graphene [41] and monolayer black phos- dn,n0 = pA B δ 0
κ
∆Eη,η 0
0
n ,p0 n,p −i n ,n+1
phorus [42], the LLs in WSM cannot cross each other,  
0 nkz ,κ nz ,κ 1
i
i.e, there is no mixing of Landau states. This can be − p An,p Bn0 ,p0 δn0 ,n−1 . (16)
explained as follows. Using Eq. (9), we have a con- i
dition for the intersection of two levels of LLs n1 and 2πienz Ma  nz ,κ nz ,κ 
n2 , if it occurs, is 2ξ0 = n1 + n2 . From that, we find dz,κ
n,n0 = κ An0 ,p0 An,p − pp0 Bn,pnz ,κ nz ,κ
Bn0 ,p0 δn0 ,n ,
∆Eη,η0 Lz
the value of the magnetic field at the intersection as (17)
B0c = (~/λ2 )(n1 + n2 )ex0 /λ , which is much smaller than
that of B0s (the magnetic field value where the LLs start where ∆Eη,ηκ κ κ
0 = Eη − Eη 0 . The dipole matrix element in
as mentioned above) for all values of n1 and n2 . That Eq. (16) shows that in the (x, y) plane, only inter LL tran-
is the reason why there is no crossing between different sitions are allowed with the condition n0 − n = ±1. This
LLs in WSM. is in agreement with that reported in graphene [51–53],
In Fig. 2(b) and Fig. 2(d), we show the dispersion of phosphorene [54] and monolayer MoS2 [28, 29]. Mean-
the LLs along the z-direction at B0 = 8 T for UMF and while, the dipole matrix element in Eq. (17) reveals that
NUMF cases, respectively. The dispersive structure in in the z-direction only the intra LL transitions are al-
WSM leads to richer results in the optical transitions lowed with the condition n0 = n, which is impossible in
even in the z-direction. The magenta and red curves reality for the intraband transitions. Therefore, there is
present the µ at nc = n0 for UMF and NUMF cases, no intraband (p = p0 ) but only interband (p 6= p0 ) dipole
which is defined from the condition transitions in the z-direction, similar to the magneto-
Z ∞ Z 0 optical conductivities reported in 2D ZrTe5 [55].
ne = dD()f () − dD()[1 − f ()], (11) Using the equation of motion method, [56, 57], the
0 −∞ electric susceptibility is calculated as follows [28]
where f () = [exp(( − µ)/kB T ) + 1]−1 is the distribution gs X X
function, T is the temperature, ne is the carrier density, χκµν (ω) = [f (Eηκ0 ) − f (Eηκ )]
2π0 αc2 Lz n,p,n 0 0
and D() is the density of state, which is given by z n ,p

"  µ,κ ∗ ν,κ  ∗ #


gs X
nz
dn,n0 dn,n0 dµ,κ
n,n 0 dν,κ
n,n 0
D() = 2
δ( − En,p ). (12) × + . (18)
2παc Lz n,p,n κ
∆Eη,η 0 + ~ω + iΓ ∆E κ
η,η 0 − ~ω − iΓ
z
5

Here, µ, ν = x, y, x, Γ is the phenomenological relaxation ∆ωn = En+2 − En


energy, and 0 is the vacuum permittivity. The results for s   s  
the longitudinal χκxx (ω) and Hall χκyx (ω) susceptibilities n+2 n
∝ (n + 2) 1 − − n 1− , (20)
in the (x, y) plane allow us to study the magneto-optical 2ξ0 2ξ0
response for circularly polarized light, which is defined
as [28]
which displays as a decreasing function of n. This
χκ± (ω) = χκxx (ω) ± iχκyx (ω), (19) peak spacing behavior in WSM is different from that in
where the +/− signs correspond to the right/left polar- TMDCs [28, 60], in which the peak spacing is found to be
ization. independent of the n and therefore it is equal at a fixed
magnetic field.
In Fig. 3(c), we show the real and imaginary parts
III. RESULTS AND DISCUSSION of χ± as a function of ~ω. From Eq. (19), we have
the following relations Im[χ± ] = Im[χxx ] ± Re[χyx ] and
We now evaluate the numerical calculations for the lon- Re[χ± ] = Re[χxx ] ± Im[χyx ]. We can see from Figs. 3(a)
gitudinal χxx and Hall χyx susceptibilities in the (x, y) and 3(b) that the Im/Re[χxx ] and Re/Im[χyx ] have al-
plane and the z-direction susceptibility χzz . According most the same heights and positions but with oppo-
to the doping level, we divide our results into two main site signs. Therefore, in the left polarization, the con-
parts: the first one is the undoped intrinsic WSM where tribution from Re/Im[χyx ] enhances the height of the
the chemical potential lies inside the bandgap and the peak in Im/Re[χxx ] leading to the increment of the peak
second one is the doped case where the chemical poten- in Im/Re[χ− ]. The process is opposite to the case of
tial lies in the conduction band. right polarization. In this case, the contribution from
Re/Im[χyx ] reduces, even cancels, the height of the peak
in Im/Re[χxx ], resulting in the disappearance of peaks in
A. Undoped intrinsic WSM the spectrum of Im[χ+ ] and Re[χ+ ].
The real and imaginary parts of χzz are shown in
In the undoped case, where ne = 0 and the µ lies in-
Fig. 3(d). Similar to the cases of χxx , χyx , and χ− , the
side the gap, the MOR is driven by only inter-band tran-
χzz also displays a series of peaks, where the transitions
sitions. In Figs. 3(a) and 3(b), the real and imaginary
satisfy the condition n0 = n, i.e., the peaks are formed by
parts of the longitudinal, χxx , and Hall- susceptibilities,
the transition L−n → Ln . Note that all peaks of the real
χyx , respectively, are shown as a function of incident pho-
and imaginary χzz are generated by only one transition,
ton energy. Since the Im(χxx ) and Re(χyx ) parts describe
the half-peak feature does not exist in the z-direction
the absorption processes, the Re(χxx ) and Im(χyx ) parts
susceptibility, though, their height of peaks is slightly
are related to the reactive dielectric response [28], which
bigger than those of χxx , χyx . This is in good agreement
have a close relationship with the relative refractive in-
with the results for the conductivities in WSM, where the
dex changes [58, 59]. Both real and imaginary parts
z-direction conductivity is found to be about ten times
of χxx and χyx are found to display a series of peaks.
bigger than that of the x-direction conductivity [5].
Note that except for the first one, which is generated by
only one transition L0 → L1 , each other peak appears The effect of temperature on the Im[χ− ] and Im[χzz ]
as a composite of pair of transitions, L−n → Ln+1 and is shown in Figs. 4(a) and 4(b), respectively. With the
L−(n+1) → Ln with n ≥ 1, where the minus sign at L−n increase in temperature, due to the thermal excitation,
indicates that the initial LL is in the valence band. This some intra-band transitions become possible, resulting
explains that the height of the first peak is smaller than in the appearance of the intra-band transition peaks as
that of the second one, which is formed by a couple of observed in Fig. 4(a). The higher the temperature is,
transitions with n = 1. This result is in agreement with the higher the intra-band absorption peaks are. For
the half-peak feature in TMDCs [28]. Except for the the Im[χzz ], due to the selection rule with the condi-
first peak as discussed above, since the second peak, the tion n0 = n (see Eq. (17)), all the intra-band transitions
peaks’ height decreases when the LL-index increases. It are forbidden. Therefore, there are no intra-band transi-
can be easily understood from Eq. (9) that when n in- tions observed in the z-direction. The effect of the mag-
inter
creases, the difference in energy ∆En,n±1 = En + En±1 netic field penetration, λ, on the Im[χ− ] and Im[χzz ] is
increases, resulting in the decrease of dipole matrix el- shown in Figs. 4(c) and 4(d), respectively. The case of
ement in the x-direction (see Eq. (16)), resulting in a λ = ∞ corresponds to the UMF. With the increase in λ,
decrease in the height of peaks of χxx . Besides, we also the peaks shift toward the lower energy region (red-shift)
κ
see that when the LL-index increases, the peak spacing due to the decrease in the energy transition, ∆Eη,η 0 . We

decreases, i.e., the peaks are getting closer and closer to- can also see that the curves with λ = 50 µm almost coin-
gether. To have an insight look of this result, we treat the cide with those of λ = ∞. It shows that in practice, for
peak spacing of two adjacent peaks, ∆ωn , from Eq. (9), magnetic field penetration of λ = 50 µm the NUMF can
as follows be considered as the UMF.
6

FIG. 3. The susceptibilities (in the unit of χ0 = e2 /(0 Lz ) eV) as a function of ~ω: (a) χxx , (b) −χyx , (c) χ± , and (d) χzz .
The parameters are B = 8 T, ne = 0, T = 0 K, Γ = 2 meV, γ = 0.5, and λ = 50 nm.

B. Doped WSM in TMDC [28] and graphene [61]. This is because in the
intra-band transitions, the energy scale is determined by
intra
We now turn our attention to the doped WSM case, ∆En,n±1 = |En±1 − En |, which is much smaller than
inter
where the ne 6= 0, and therefore the µ lies in the conduc- that of the inter-band transitions ∆En,n±1 = En±1 + En .
tion band. In this case, both intra-band and inter-band Meanwhile, the high spectra weight of the intra-band
transitions are possible. As we can see from Fig. 3 and transition peaks is the result of the two main reasons.
Fig. 4 that the behavior of χzz is almost similar to that The first one is from its small energy transition scale as
of χ− . In this subsection, we mainly focus on the χ− . mentioned above (recall that the values of Im[χ− ] and
intra −1
Re[χ− ] are proportional to (∆En,n±1 ) ). The second is
from the small value of Γ, which is chosen to be able to
1. Intra-band transitions observe the intra-band transition peaks.
In Fig. 5(a), we show the temperature effect on the
In Fig. 5, we present the effect of the temperature, elec- Im[χ− ] and Re[χ− ] at ne = n0 , λ = 50 nm, and γ = 0.5
tron density, magnetic field penetration, and electric field where the µ lies between the L2 and L3 (see Fig. 2(a)).
(recall that γ = ∆z /Ma kc2 ) on the imaginary and the real Therefore, at T = 0, only intra-band transition L2 → L3 ,
parts of χ− due to the intra-band transitions. Because with photon energy ~ω2,3 = 10.15 meV, is allowed while
the energy transition ∆Eη,η0 in the intra-band transitions the other transitions are blocked caused by the Pauli
is much small, we chose a value of Γ to be Γ = 0.2 meV, blocking. With the increase in T , some LLs below the
which is smaller than LL spacing for that the peaks are chemical potential (L0 , L1 , and L2 ) become thermally
observable. Overall, the energy scale (the spectra weight) depopulated and no longer completely occupied. Con-
of the intra-band transition peaks is much smaller (big- sequently, electrons in the below LLs can jump to fill
ger) than those of the inter-band ones, agreeing with that these vacancies, generating some new intra-band transi-
7

FIG. 4. The susceptibilities (in the unit of χ0 ) as a function of ~ω: (a) Im[χ− ] and (b) Im[χzz ] for different temperatures at
λ = 50 nm, (c) Im[χ− ] and (d) Im[χzz ] for different λ at T = 0. The parameters are B = 8 T, ne = 0, Γ = 2 meV, and γ = 0.5.

tions. Here we can observe the new intra-band transi- in ne , the peaks shift to the lower energy region and en-
tion L1 → L2 at ~ω1,2 = 11.97 meV. Meanwhile, the hance their height. It is clear from Table I that when
LLs above the µ (Ln≥3 ) become no longer fully empty the ne increases, the LL index of allowed transitions, n,
due to the thermal population. These thermally popu- increases, leading to a decrease in the difference in energy
lated electrons are able to jump to higher LLs to gener-
intra
ate new peaks, which are the results of the Ln → Ln+1 ∆En,n±1 = |En±1 − En |
transitions with n ≥ 3. All these peaks are located s   s  
in the lower energy region in comparison to the main
n±1 n
∝ (n ± 1) 1 − − n 1− . (21)

peak (L2 → L3 ). These results are in good agreement 2ξ0 2ξ0
with those in graphene [61] and topological insulator thin
film [62]. intra
Because, the ∆En,n±1 shown in Eq. (21) is a descending
In Fig. 5(b), we show the electron concentration effect function of n.
on the Im[χ− ] and Re[χ− ] at T = 0, λ = 50 nm, and The effect of the magnetic field penetration, λ, on the
γ = 0.5. We can see from Fig. 2(a) that when the ne Im[χ− ] and Re[χ− ] is shown in Fig. 5(c). The varying λ
increases the chemical potential shifts upwards, resulting also leads to the change of the position of µ, and therefore
in the change in the allowed transitions. The allowed also changes the LL order involving in the allowed tran-
intra-band transitions and their corresponding energies sition. The allowed transitions and their corresponding
are listed in the first three columns of Table I, which energies are listed in the central three columns of Table I.
are read as follows. For ne = n0 (2n0 , 3n0 ), the µ lies In the case of λ = 50 nm, the transition is L2 → L3 ,
between L2(5,7) and L3(6,8) , leading to the allowed tran- while it is L3 → L4 for both the cases of λ = 100 nm and
sition being Ln → Ln+1 with n = 2 (5, 7), generating a λ = ∞ (UMF). Note that although the allowed transi-
peak at ~ω = 10.15 (7.28, 6.22) meV. With the increase tions in two cases of λ = 100 nm and UMF have the same
8

FIG. 5. The Im[χ− ] and Re[χ− ] (in the unit of χ0 ) due to intra-band transitions as a function of ~ω at B = 8 T and
Γ = 0.2 meV: (a) for several T , (b) for several ne , (c) for several λ, and (d) for several γ. The parameters are T = 0, ne = n0 ,
λ = 50 nm, and γ = 0.5 except for indicating.

LL index (n = 3), their energy transitions are different. as listed in the last three columns of Table I. With the
This is because the change in λ also leads to the change increase in the electric field, the intra-band transition
intra
in the energy spectrum (see Eq. (9)), which leads to the peaks show a blue-shift due to the increase of ∆En,n±1 .
intra
change in the ∆En,n±1 . Similar to Fig. 4(c), when the
λ increases, the intra-band transition peaks also make a
intra
red-shift due to the decrease of ∆En,n±1 . 2. Inter-band transitions
The effect of the electric field, expressed in terms of
γ, on the Im[χ− ] and Re[χ− ] is illustrated in Fig. 5(d). In Fig. 6(a), we show the Im[χ− ] due to inter-band
Similar to the electron density and magnetic field pene- transitions versus the ~ω for different electron densities.
tration, the varying electric field also changes the position The Im[χ− ] due to inter-band transitions also displays
of the µ leading to the change of the allowed transition, a series of peaks. Due to the Pauli blocking, where all
transitions, which have the final LLs below the µ, are for-
bidden, the first peaks of each series (threshold energy)
TABLE I. List of allowed intra-band transitions Ln → Ln+1 locate at different positions depending on the position of
and its corresponding energies (in the unit of meV) for differ- µ. The increase in ne pushes the µ upward, resulting
ent ne , λ, and γ from Figs. 5(b), 5(c), and 5(d). in the increase in the LL-index involved in the transi-
tions. Therefore, the threshold energy shifts to a higher
ne n ~ω λ n ~ω γ n ~ω
n0 2 10.15 50 nm 2 10.15 0.3 1 9.18
energy region. This is illustrated visually in the scheme
2n0 5 7.28 100 nm 3 8.65 0.5 2 10.15 of Fig. 6(b), where the dotted arrows (with an “x” sign
3n0 7 6.22 ∞ 3 7.95 0.7 3 10.35 on them) illustrate the forbidden transitions. For exam-
ple, for ne = n0 , the µ lies between L2 and L3 , and the
9

1.0
35 T =0 0.8
30 0.6 n=2 n=3

Df
T = 150 K 0.4 n=1 n=0
25 0.2

Im@ Χ- D Χ0
T = 300 K
0.0
20 0 100 200 300
15 T HKL

10
5
0
100 150 200 250 300
ÑΩ HmeVL

FIG. 7. The Im[χ− ] (in the unit of χ0 ) due to inter-band


transitions as a function of ~ω for different temperature. The
inset shows the ∆f = |f−n − fn+1 | as a function of temper-
ature. The parameters are B = 8 T, Γ = 2 meV, ne = n0 ,
λ = 50 nm, and γ = 0.5.

where all the inter-band transitions are allowed, in the


doped case, not all but only inter-band transitions whose
final LLs above the µ are allowed, as discussed in Fig. 6.
With parameters used in Fig. 7, the µ lies between L2
and L3 . Therefore, at T = 0, all transitions which have
final LLs index less than 2 are blocked, and the allowed
FIG. 6. (a) The Im[χ− ] (in the unit of χ0 ) due to inter- transitions start at n = 2 (see again the case of ne = n0
band transitions versus the ~ω for different ne ; (b) a scheme in Fig. 6). When the temperature increases, due to the
of optical inter-band transitions, where the dotted lines show thermal excitation, a couple of new inter-band transi-
the corresponding chemical potentials. The parameters are tions whose final LLs below the µ become possible, form-
B = 8 T, Γ = 2 meV T = 0, λ = 50 nm, and γ = 0.5. ing new inter-band transitions peaks as observed clearly
from the blue and green curves of Fig. 7 for T = 150 K
and 300 K, respectively. Besides generating new peaks,
first transition is from L−2 to L3 (which is illustrated by thermal excitation also affects the height of peaks. This
the first cyan solid arrow in Fig. 6(b)) while its counter- effect is not similar for all transitions but depends on the
part (L−3 → L2 ) is forbidden (which is illustrated by the position of its final LLs. (i) For the transitions which
cyan dotted arrow). This transition forms the first peak have the final LLs below the µ (including n = 0 and
in the series of peaks of the case of ne = n0 (cyan curve) n = 1), the height of peaks increases with the increase in
in Fig. 6(a). Its second peak is derived from by a pair the temperature. Note that these two peaks are formed
of transitions L−3 → L4 and L−4 → L3 , which are illus- due to the thermal excitation and appear only in the
trated by the second and the third cyan solid arrows in case of T 6= 0. When the LLs L0 and L1 are thermally
Fig. 6(b). Similarly, the third one is from L−4 → L5 and depopulated, electrons in these LLs get thermal energy
L−5 → L4 , and so on. Cases of ne = 2n0 and ne = 3n0 and jump to higher levels, creating holes in there. As
can also be expressed in the same way. Besides, the half- a result, other electrons in the valence band can jump
peak feature is still observed in the inter-band transitions. in to fill those holes. The higher the temperature, the
This half-peak feature is in agreement with that obtained stronger thermal excitation occurs, leading to an increase
in TI thin film [62, 63] and the half-plateau characteristic in the probability of transitions, which in turn leads to
in TMDCs monolayer [28]. an enhancement of the peak height. (ii) Meanwhile, for
In Fig. 7, we show the imaginary part of χ− due to the transitions whose final LLs above the µ, the peaks’
inter-band transitions as a function of ~ω at B = 8 T, height decreases with the temperature. In this case, the
Γ = 2 meV, ne = n0 , λ = 50 nm, and γ = 0.5 for dif- LLs are thermally populated and partially occupied. The
ferent temperatures. Similar to the undoped case (see higher the temperature, the more thermal electrons will
Fig. 4(a)), in the doped case, the Im[χ− ] also displays appear there, leading to the decrease in the probability
a series of peaks. However, unlike in the undoped case, of transitions, therefore resulting in the reduction in the
10

FIG. 8. (a) The Im[χ− ] (in the unit of χ0 ) due to inter- FIG. 9. (a) The Im[χ− ] (in the unit of χ0 ) due to inter-
band transitions versus the ~ω for different λ; (b) a scheme of band transitions versus the ~ω for different electric field; (b) a
optical inter-band transitions where the dotted lines show the scheme of optical inter-band transitions where the dotted lines
chemical potentials. The parameters are B = 8 T, Γ = 2 meV show the chemical potentials. The parameters are B = 8 T,
T = 0, ne = n0 , and γ = 0.5. Γ = 2 meV T = 0, λ = 50 nm, and ne = n0 .

height of peaks. Mathematically, note from Eq. (18) that


the χ(ω) is proportional to ∆f = f (Eηκ0 ) − f (Eηκ ), which s   s  
increases with temperature when n < 2 and decreases n±1 n
∝ (n ± 1) 1 − + n 1− , (22)
with the temperature when n ≥ 2 as shown clearly in the 2ξ0 2ξ0
inset.
The effect of the λ on the Im[χ− ] is depicted in
Figs. 8(a) and 8(b). We can see from Fig. 8(b) that the
varying λ not only changes the energy spectrum but also being an increasing function of n, the first peak of the
changes the position of the chemical potential, therefore case λ = 50 nm (which has n = 2) lies on the left hand-
changing the threshold energy. When the λ increases, side of the first peaks of the cases λ = 100 nm, and λ = ∞
the Eηd slightly reduces, resulting in the reduction in the (both have n = 3).
difference in energy, which leads to the red-shift behav-
ior of the peak positions. Note that the red-shift be- Finally, the electric field effect on the Im[χ− ] is illus-
havior is only valid for transitions with the same LL- trated in Figs. 9(a) and 9(b). The varying λ also changes
index, n. The first peak in the case of λ = 50 nm corre- the energy spectrum and the position of the µ, therefore
sponds to the transition L−2 → L3 while it is L−3 → L4 changing the threshold energy. When the γ increases, the
in both rest cases (see the scheme in Fig. 8(b)). Since Eηd reduces, resulting in the reduction in the transition
inter
the ~ωn,n±1 = ∆En,n±1 , with energy, but the µ increases, resulting in the increase of
the energy threshold. This competition leads to a com-
plicated change in the peak positions of the inter-band
inter
∆En,n±1 = En±1 + En transitions with the varying of the electric field.
11

IV. CONCLUSIONS is no intra-band but only inter-band transitions in the


z-direction.
We have studied the LLs and the optical properties of We have also analyzed in detail the longitudinal and
a WSM quantum well in the presence of a NUMF with Hall optical response under the effect of the tempera-
an exponential decaying form. We have analyzed in de- ture, the magnetic field penetration, the electron density,
tail the effect of the magnetic field penetration, a quan- and the electric field in both doped and undoped cases.
tity that characterizes the exponential decaying magnetic Except for the case of intra-band transition at T = 0,
field, on the LLs energy spectrum in both (x, y) plane and in all other cases, both real and imaginary parts of the
z-direction. Unlike in the UMF case, in the NUMF, (i) longitudinal and Hall susceptibilities, and therefore the
the LLs do not start at B0 = 0 but at B0s , the higher χ− displays a series of peaks where the height of peaks
the LL-index the bigger the value of B0s ; (ii) the number and the peak spacing decrease with the increase of the
of energy levels is finite. Besides, the LLs in WSM do LL-index. The temperature affects significantly the op-
not cross each other and therefore there is no mixing of tical response. The increase in the temperature triggers
Landau states. When λ → ∞, the energy level of the new transitions forming new peaks in the optical response
NUMF reduces to its form of the UMF. spectrum. All the electron density, magnetic field pen-
The selection rules obtained from the dipole matrix etration, and electric field affect markedly the position
element show that in the (x, y) plane, only inter LL tran- of the chemical potential, therefore, the change in these
sitions are allowed with the condition n0 = n ± 1, which parameters affect strongly the value of the threshold en-
is valid for both intra- and inter-band transitions. Mean- ergy. Our study provides an effective way to control the
while, in the z-direction only the intra LL transitions are threshold energy, and therefore, to control the optical
allowed with the condition n0 = n. Consequently, there response spectrum in WSM.

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