arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2007.03449cond-mat.mtrl-sci
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α- SnS单晶中激子的各向异性行为

Anisotropic Behavior of Excitons in Single Crystal α-SnS

Van Long Le, Do Duc Cuong, Hoang Tung Nguyen, Xuan Au Nguyen, Bogyu Kim, Kyujin Kim, Wonjun Lee, Soon Cheol Hong, Tae Jung Kim, Young Dong Kim

摘要:

通过考虑原子轨道,解析地研究了α-SnS单晶在基本吸收边附近的各向异性介电性质。最引人注目的是扶手椅(b-)轴方向的激子特征,这在低温下特别突出。为了确定这种各向异性的起源,我们进行第一性原理计算,使用GW 0的Bethe-Salpeter方程(BSE),包括电子-空穴相互作用。结果表明,各向异性介电特性是p轨道自然各向异性的直接结果。特别地,这种占主导地位的激子特征起源于Γ-Y区域中鞍点处的py轨道。

英文摘要:

We investigate analytically the anisotropic dielectric properties of single crystal α-SnS near the fundamental absorption edge by considering atomic orbitals. Most striking is the excitonic feature in the armchair- (b-) axis direction, which is particularly prominent at low temperatures. To determine the origin of this anisotropy, we perform first-principles calculations using the GW0 Bethe-Salpeter equation (BSE) including the electron-hole interaction. The results show that the anisotropic dielectric characteristics are a direct result of the natural anisotropy of p orbitals. In particular, this dominant excitonic feature originates from the py orbital at the saddle point in the Γ-Y region.

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