文献类型：期刊文献

英文题名：In-plane anisotropic electronic properties in layered alpha '-In2Se3

作者：Liu, Zhun[1,2];Wu, Jing[3];Li, Jingbo[1]

机构：[1]South China Normal Univ, Inst Semicond, Guangzhou 510631, Peoples R China;[2]Shaoxing Univ, Dept Phys, Shaoxing 312000, Peoples R China;[3]Shaoxing Univ, Ctr Brain Mind & Educ, Shaoxing 312000, Peoples R China

年份：2021

卷号：130

期号：1

外文期刊名：JOURNAL OF APPLIED PHYSICS

收录：SCI-EXPANDED(收录号：WOS:000681705200009)、、WOS

基金：J.L. gratefully acknowledges financial support from the "The Pearl River Talent Recruitment Program." Z.L. acknowledges the "Research Start-up Fund Project of Shaoxing University (NO.20210011)."

语种：英文

外文摘要：In2Se3 polymorphs have been extensively studied because of their diverse physical properties such as piezoelectricity, photoelectricity, and ferroelectricity, thereby showing plentiful promising applications in integrated electronic devices. These diverse properties are strongly dependent on or affected by their atomic bonding arrangement in the crystal phases. Combining lattice symmetry and local atomic perturbation, we demonstrate a novel layered alpha '-In2Se3 phase by using the first-principles calculations, which is reconstructed from the inverted tetrahedral bonding configuration by the in-plane displacive middle layer Se atom. The optimized structure of monolayer alpha '-In2Se3 has triple degenerated atomic configurations with different Se atom orientations. We noted that these degenerated atomic configurations exhibit a moderate switching barrier (about 61 meV/f.u.) between them. To further explore this atom-oriented anisotropic property in alpha '-In2Se3, the electronic properties were studied with an orthorhombic unit cell. The comparative results for the orthogonal Se atom orientations suggest that the nonbonding orbital coupling of the displacive Se atoms induces large in-plane anisotropic optical absorption and electrical transport properties. This study of the layered alpha '-In2Se3 phase can extend the realm of switchable anisotropic optoelectronic applications in future electronic devices.