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arXiv 1504.04040cond-mat.mes-hall
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三角晶格激子模型

Triangular lattice exciton model

Naval Research Laboratory(海军研究实验室);National Research Council(国家研究委员会)

Daniel Gunlycke, Frank Tseng

AI总结:

本文提出一个最简等边三角晶格模型,用于推导半导体过渡金属二硫化物的电子和激子能带结构,考虑了交换相互作用,适用于从Wannier到Frenkel激子的范围,揭示了二维氢模型的不足。

摘要:

我们提出一个最简等边三角晶格模型,从中推导出半导体过渡金属二硫化物的电子和激子能带结构。通过显式考虑交换相互作用,该模型适用于从Wannier到Frenkel激子的整个范围。单粒子贡献来源于最近邻紧束缚模型,参数化使用有效质量和自旋轨道耦合。通过直接空间计算特征方程的解,与第一性原理计算结果定性一致,揭示了二维氢模型不足以描述最低能级激子能带的不足。该模型证实了无亚壳层简并性,并表明A-B激子分裂取决于静电环境以及自旋轨道相互作用。

英文摘要:

We present a minimalistic equilateral triangular lattice model, from which we derive electron and exciton band structures for semiconducting transition-metal dichalcogenides. With explicit consideration of the exchange interaction, this model is appropriate across the spectrum from Wannier to Frenkel excitons. The single-particle contributions are obtained from a nearest-neighbor tight-binding model parameterized using the effective mass and spin-orbit coupling. The solutions to the characteristic equation, computed in direct space, are in qualitative agreement with first-principles calculations and highlight the inadequacy of the two-dimensional hydrogen model to describe the lowest-energy exciton bands. The model confirms the lack of subshell degeneracy and shows that the A-B exciton split depends on the electrostatic environment as well as the spin-orbit interaction.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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