应变碲化烯和碲化氢的准粒子和光学性质。

Quasiparticle and optical properties of strained stanene and stanane.

机构信息

State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing, 100876, China.

State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai, 200050, China.

出版信息

Sci Rep. 2017 Jun 20;7(1):3912. doi: 10.1038/s41598-017-04210-w.

DOI:10.1038/s41598-017-04210-w

PMID:28634387

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5478662/

Abstract

Quasiparticle band structures and optical properties of two dimensional stanene and stanane (fully hydrogenated stanene) are studied by the GW and GW plus Bethe-Salpeter equation (GW-BSE) approaches, with inclusion of the spin-orbit coupling (SOC). The SOC effect is significant for the electronic and optical properties in both stanene and stanane, compared with their group IV-enes and IV-anes counterparts. Stanene is a semiconductor with a quasiparticle band gap of 0.10 eV. Stanane has a sizable band gap of 1.63 eV and strongly binding exciton with binding energy of 0.10 eV. Under strain, the quasiparticle band gap and optical spectrum of both stanene and stanane are tunable.

摘要

通过 GW 和 GW 加 Bethe-Salpeter 方程 (GW-BSE) 方法研究了二维斯坦烯和斯坦烷（完全氢化斯坦烯）的准粒子能带结构和光学性质，并包括自旋轨道耦合 (SOC)。与它们的 IV 族烯和 IV 族烷类似物相比，SOC 效应对斯坦烯和斯坦烷的电子和光学性质有重要影响。斯坦烯是一种具有 0.10 eV 准粒子带隙的半导体。斯坦烷具有相当大的带隙 1.63 eV 和强结合激子，结合能为 0.10 eV。在应变下，斯坦烯和斯坦烷的准粒子能带间隙和光学谱都可以调节。