Group theory for structural analysis and lattice vibrations in phosphorene systems
Group theory for structural analysis and lattice vibrations in phosphorene systems
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DOI：
10.1103/physrevb.91.205421
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发表时间：
2014-08
影响因子：
3.7
通讯作者：
J. Ribeiro-Soares;R. M. Almeida;L. G. Canccado;M. Dresselhaus;A. D. D. F'isica-A.-D.-D.-F'isica-103097743;Universidade Federal de Minas Gerais;B. Horizonte;Mg;30123-970;Brazil.;D. D. F'isica-D.;Universidade Federal de Lavras;Lavras;37200-000;Department of Electrical Engineering;Computer Science;M. I. O. Technology;Cambridge;MA 02139;Usa;D. Physics
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文献类型：
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作者：
J. Ribeiro-Soares;R. M. Almeida;L. G. Canccado;M. Dresselhaus;A. D. D. F'isica-A.-D.-D.-F'isica-103097743;Universidade Federal de Minas Gerais;B. Horizonte;Mg;30123-970;Brazil.;D. D. F'isica-D.;Universidade Federal de Lavras;Lavras;37200-000;Department of Electrical Engineering;Computer Science;M. I. O. Technology;Cambridge;MA 02139;Usa;D. Physics
群论分析二维元素系统相关的磷烯，包括（i）石墨烯，硅烯，锗烯，锡烯;（ii）它们的依赖于层数;和（iii）它们的两种可能的堆叠安排。从最对称的D 1 6 h石墨烯空间群出发，发现结构具有群-子群关系，并且分析其晶格振动的不可约表示使得可以区分不同的同素异形体。该分析可用于研究应变的影响，了解结构相变，表征层数，晶体取向和非线性现象。
Group theory analysis for two-dimensional elemental systems related to phosphorene is presented, including (i) graphene, silicene, germanene, and stanene; (ii) their dependence on the number of layers; and (iii) their two possible stacking arrangements. Departing from the most symmetric D 1 6h graphene space group, the structures are found to have a group-subgroup relation, and analysis of the irreducible representations of their lattice vibrations makes it possible to distinguish between the different allotropes. The analysis can be used to study the effect of strain, to understand structural phase transitions, to characterize the number of layers, crystallographic orientation, and nonlinear phenomena.