Unexpected electronic structure of the alloyed and doped arsenene sheets: First-Principles calculations.
Unexpected electronic structure of the alloyed and doped arsenene sheets: First-Principles calculations.
复制标题
合金化和掺杂砷烯片的意外电子结构：第一性原理计算
DOI：
10.1038/srep29114
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发表时间：
2016-07-04
影响因子：
4.6
通讯作者：
He Y
中科院分区：
文献类型：
--
作者：
Liu MY;Huang Y;Chen QY;Cao C;He Y
We study the equilibrium geometry and electronic structure of alloyed and doped arsenene sheets based on the density functional theory calculations. AsN, AsP and SbAs alloys possess indirect band gap and BiAs is direct band gap. Although AsP, SbAs and BiAs alloyed arsenene sheets maintain the semiconducting character of pure arsenene, they have indirect-direct and semiconducting-metallic transitions by applying biaxial strain. We find that B- and N-doped arsenene render p-type semiconducting character, while C- and O-doped arsenene are metallic character. Especially, the C-doped arsenene is spin-polarization asymmetric and can be tuned into the bipolar spin-gapless semiconductor by the external electric field. Moreover, the doping concentration can effectively affect the magnetism of the C-doped system. Finally, we briefly study the chemical molecule adsorbed arsenene. Our results may be valuable for alloyed and doped arsenene sheets applications in mechanical sensors and spintronic devices in the future.
