自旋电子学
拓扑(电路)
材料科学
拓扑序
凝聚态物理
过渡金属
拓扑绝缘体
单层
相变
相(物质)
拉伸应变
带隙
量子相变
纳米技术
量子
物理
量子力学
化学
极限抗拉强度
铁磁性
组合数学
催化作用
冶金
生物化学
数学
作者
Fengxian Ma,Guoping Gao,Yalong Jiao,YuanTong Gu,Ante Bilić,Haijun Zhang,Zhongfang Chen,Aijun Du
出处
期刊:Nanoscale
[The Royal Society of Chemistry]
日期:2016-01-01
卷期号:8 (9): 4969-4975
被引量:47
摘要
Single layered transition metal dichalcogenides have attracted tremendous research interest due to their structural phase diversities. By using a global optimization approach, we have discovered a new phase of transition metal dichalcogenides (labelled as T′′), which is confirmed to be energetically, dynamically and kinetically stable by our first-principles calculations. The new T′′ MoS2 phase exhibits an intrinsic quantum spin Hall (QSH) effect with a nontrivial gap as large as 0.42 eV, suggesting that a two-dimensional (2D) topological insulator can be achieved at room temperature. Most interestingly, there is a topological phase transition simply driven by a small tensile strain of up to 2%. Furthermore, all the known MX2 (M = Mo or W; X = S, Se or Te) monolayers in the new T′′ phase unambiguously display similar band topologies and strain controlled topological phase transitions. Our findings greatly enrich the 2D families of transition metal dichalcogenides and offer a feasible way to control the electronic states of 2D topological insulators for the fabrication of high-speed spintronics devices.
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