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磷烯和过渡金属二硫属化物中最低激子态的变分计算。

Variational calculation of the lowest exciton states in phosphorene and transition metal dichalcogenides.

作者信息

Gomes José Nuno S, Trallero-Giner Carlos, Vasilevskiy Mikhail I

机构信息

Centro de Física, Universidade do Minho, Campus de Gualtar, Braga 4710-057, Portugal.

Facultad de Física, Universidad de La Habana, Vedado 10400, La Habana, Cuba.

出版信息

J Phys Condens Matter. 2021 Nov 8;34(4). doi: 10.1088/1361-648X/ac1765.

DOI:10.1088/1361-648X/ac1765
PMID:34298536
Abstract

Several transition metal dichalcogenides (TMDs) can be exfoliated to produce nearly two-dimensional (2D) semiconductor layers supporting robust excitons with non-hydrogenic Rydberg series of states. Black phosphorus (BP) can also be layered to create a nearly 2D material with interesting properties including its pronounced in-plane anisotropy that influences, in particular, exciton states making them different from those in other 2D semiconductors. We apply the Rayleigh-Ritz variational method to evaluate the energies and approximate the wavefunctions of the ground and lowest excited states of the exciton in a 2D semiconductor with anisotropic effective masses of electrons and holes. The electron-hole interaction is described by the Rytova-Keldysh potential, which is considered beyond the standard zero-thickness approximation. The exciton binding energies calculated for BP and TMD (molybdenum disulphide and tungsten disulphide) monolayers are compared with previously published data.

摘要

几种过渡金属二卤化物(TMDs)可以被剥离以产生近乎二维(2D)的半导体层,这些层支持具有非氢里德堡态系列的强激子。黑磷(BP)也可以分层形成一种近乎二维的材料,具有有趣的特性,包括其显著的面内各向异性,这尤其会影响激子态,使其与其他二维半导体中的激子态不同。我们应用瑞利 - 里兹变分法来评估具有电子和空穴各向异性有效质量的二维半导体中激子的基态和最低激发态的能量,并近似其波函数。电子 - 空穴相互作用由里托娃 - 凯尔迪什势描述,该势被认为超出了标准的零厚度近似。将计算得到的BP和TMD(二硫化钼和二硫化钨)单层的激子结合能与先前发表的数据进行比较。

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J Phys Condens Matter. 2021 Nov 8;34(4). doi: 10.1088/1361-648X/ac1765.
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