Two-dimensional tricycle arsenene with a direct band gap
Two-dimensional tricycle arsenene with a direct band gap
复制标题
具有直接带隙的二维三环砷烯。
DOI：
10.1039/c5cp07290e
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发表时间：
2016-03-28
影响因子：
3.3
通讯作者：
Zhang, K. W.
中科院分区：
文献类型：
--
作者：
Ma, ShuangYing;Zhou, Pan;Zhang, K. W.
Based on a comprehensive investigation including ab initio phonon and finite-temperature molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T-As) is robust and even stable under high temperature. T-As is energetically comparable to previously reported chair-shaped arsenene (C-As) and more stable than stirrup-shaped arsenene (S-As). In contrast to C-As and S-As, the monolayer T-As is a direct band gap semiconductor with an energy gap of 1.377 eV. Our results indicate that the electronic structure of T-As can be effectively modulated by stacking, strain, and patterning, which shows great potential of T-As in future nano-electronics. Moreover, by absorbing H or F atoms on the surface of T-As along a specific direction, nanoribbons with desired edge type and even width can be obtained, which is suitable for the fabrication of nano-devices.
