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Frontiers of Physics

ISSN 2095-0462

ISSN 2095-0470(Online)

CN 11-5994/O4

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Front. Phys.    2024, Vol. 19 Issue (4) : 43210    https://doi.org/10.1007/s11467-023-1386-z
Inheritance of the exciton geometric structure from Bloch electrons in two-dimensional layered semiconductors
Jianju Tang1, Songlei Wang1, Hongyi Yu1,2()
1. Guangdong Provincial Key Laboratory of Quantum Metrology and Sensing & School of Physics and Astronomy, Sun Yat-sen University (Zhuhai Campus), Zhuhai 519082, China
2. State Key Laboratory of Optoelectronic Materials and Technologies, Sun Yat-sen University (Guangzhou Campus), Guangzhou 510275, China
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Abstract

We theoretically studied the exciton geometric structure in layered semiconducting transition metal dichalcogenides. Based on a three-orbital tight-binding model for Bloch electrons which incorporates their geometric structures, an effective exciton Hamiltonian is constructed and solved perturbatively to reveal the relation between the exciton and its electron/hole constituent. We show that the electron−hole Coulomb interaction gives rise to a non-trivial inheritance of the exciton geometric structure from Bloch electrons, which manifests as a valley-dependent center-of-mass anomalous Hall velocity of the exciton when two external fields are applied on the electron and hole constituents, respectively. The obtained center-of-mass anomalous velocity is found to exhibit a non-trivial dependence on the fields, as well as the wave function and valley index of the exciton. These findings can serve as a general guide for the field-control of the valley-dependent exciton transport, enabling the design of novel quantum optoelectronic and valleytronic devices.

Keywords transition metal dichalcogenides      exciton      geometric structure      Berry curvature      van der Waals stacking     
Corresponding Author(s): Hongyi Yu   
Issue Date: 08 March 2024
 Cite this article:   
Jianju Tang,Songlei Wang,Hongyi Yu. Inheritance of the exciton geometric structure from Bloch electrons in two-dimensional layered semiconductors[J]. Front. Phys. , 2024, 19(4): 43210.
 URL:  
https://academic.hep.com.cn/fop/EN/10.1007/s11467-023-1386-z
https://academic.hep.com.cn/fop/EN/Y2024/V19/I4/43210
Fig.1  (a) The electron and hole bands near ±K. The wavy double arrow denotes the Coulomb interaction between them. (b) Schematic illustrations of valley Hall effects for the electron (upper panel) and hole (lower panel) under external forces F e and Fh, respectively. Blue solid (dashed) arrows denote the trajectories of carriers in +K (−K) valley. (c) A schematic illustration of the Hall effect of the interlayer exciton when its electron and hole constituents experience external forces Fe and F h, respectively. The total force on the exciton can be decomposed into FCoM Fe+F h which perturbs the exciton CoM motion and FR(mh Fem e Fh)/M which perturbs the e−h relative motion.
Ωr Ωc Ωv ΩT(τ=+ 1) ΩT(τ= 1) δΩ(τ=+1) δΩ(τ=1)
0.023 −0.125 0.148 −0.072 0.030 0.036 −0.138
Tab.1  The electron Berry curvatures Ωr/c/v at K calculated from the three-orbital model, and ΩT( m e2 Ωc+ m h2 τΩv)/M2, δ Ω( meΩc mhτΩv)/M for excitons in monolayer MoSe2 (unit: nm2). The hole Berry curvature is related to that of the electron through Ωr/ c/ v= Ωr /c /v in monolayer TMDs.
Fig.2  (a) The Darwin term induced energy correction Enl( Da rw in) to 1s, 2s, and 2p± states of the interlayer exciton as a function of the interlayer distance d in suspended MoSe2 with environmental dielectric constant ε = 1. d = 0 corresponds to the monolayer case. The inset illustrates the energy alignment of 1s, 2s, 2p+ and 2p states. (b) Enl( Da rw in) for excitons in hBN-encapsulated MoSe2 with ε = 4.5. The inset shows the dependence of Enl(D arw in) on ε in monolayer MoSe2. (c) The SOC induced splitting δE2p E2 p+ E2 p as a function of the interlayer distance d, for excitons in suspended MoSe2. (d) δE2p for excitons in hBN-encapsulated MoSe2. In (a?d), solid symbols at d = 0 correspond to excitons in monolayer MoSe2, whereas empty symbols correspond to excitons in bilayer MoSe2 with d = 0 (i.e., two monolayers vertically overlap).
Fig.3  (a) The dimensionless parameter ηns for 1s and 2s exciton states as functions of the interlayer distance d, in the suspended (ε = 1) and hBN-encapsulated (ε = 4.5) MoSe2. τ=+1 and τ= 1 have nearly the same ηns values. (b) The mass corrections ΔM 1s/M in the suspended and hBN-encapsulated TMDs as functions of d.
Fig.4  (a) A schematic illustration of the exciton valley Hall effect under FR = 0 but F Co M ≠ 0 which is induced by a density or thermal gradient (color map). The orange arrow denotes the total force F Co M applied on the exciton CoM motion. Solid and dashed blue arrows denote the trajectories of excitons with the valley indices (τ,τ)=(+1,+ 1) and (+1, 1), respectively, with their transverse motions induced by the CoM anomalous velocity of the exciton. (b) The exciton valley Hall effect under FCoM = 0 but F R = e E ≠ 0 which is induced by a homogeneous in-plane electric field E (black arrows). Green arrows denote the electrostatic forces FR and FR applied on the electron and hole constituents, respectively. (c) The exciton valley Hall effect under Fh = 0 but F e = e E ≠ 0 (the red arrow) which is from an electric field E (the black arrow) applied in the electron layer only. (d) The Berry curvature Ωns(C oM) of 1s and 2s excitons as functions of the interlayer distance d [see Eq. (13) in the maintext], which leads to the exciton transverse motion in (a). (e) The Berry curvature Ωns( R) of 1s and 2s excitons, which leads to the exciton transverse motion in (b). (f) Ωns( e) of 1s and 2s excitons, which leads to the exciton transverse motion in (c).
  Fig. A1 (a?c) Fitting results for wave functions |ψ1s |2, |ψ2s |2 and |ψ2p±| 2, respectively, for excitons in hBN-encapsulated monolayer MoSe2 with ε=4.5 and r0=3.9 /ε nm. The Blue lines are the fitting results using non-hydrogenic functions f(r, θ)e br2/(a+r ) [Eq. (A8)]. The green lines are the fitting results using exponentially decaying functions f(r ,θ) e br. The dotted lines are the numerical results.
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