Electronic states of SnTe and PbTe (001) monolayers with supports
Electronic states of SnTe and PbTe (001) monolayers with supports
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DOI：
10.1016/j.susc.2015.04.009
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发表时间：
2015-09-01
期刊：
影响因子：
1.9
通讯作者：
Kobayashi, Katsuyoshi
中科院分区：
文献类型：
--
作者：
Kobayashi, Katsuyoshi
用密度泛函方法研究了SnTe和PbTe（001）单分子膜的电子态。研究的系统是独立的单分子膜，单分子膜上的溴化钠基板，和单分子膜夹在两个溴化钠表面之间。虽然孤立的碲化铅单层假设在一个平面结构的边缘状态，建议拓扑晶体绝缘状态，平面结构的独立单层是不稳定的，镜像对称性失去了屈曲。对NaBr基底上单分子膜的计算表明，尽管单分子膜与基底之间的相互吸引作用降低了单分子膜的屈曲幅度，但基底会使单分子膜产生一种新的静电势不对称性。理论计算表明，夹在两个NaBr表面之间的SnTe单分子膜具有边缘态，表明它们是二维拓扑晶体绝缘体。(C)2015 Elsevier B.V.版权所有。
Electronic states of SnTe and PbTe (001) monolayers are theoretically studied by density-functional calculations. The systems investigated are freestanding monolayers, monolayers on NaBr substrates, and monolayers sandwiched between two NaBr surfaces. Though isolated PbTe monolayers assumed in a planar structure have the edge states that suggest topological crystalline insulating states, the planar structure of freestanding monolayers is unstable and the mirror symmetry is lost by buckling. Calculations of monolayers on NaBr substrates show that though the attractive interaction between monolayers and substrates reduces buckling amplitude in monolayers, substrates produce a new asymmetry of electrostatic potential in monolayers. Theoretical calculations show that the SnTe monolayers sandwiched between two NaBr surfaces have the edge states suggesting that they are two-dimensional topological crystalline insulators. (C) 2015 Elsevier B.V. All rights reserved.