An array of layers in silicon sulfides: Chainlike and monolayer

被引:8
作者
Alonso-Lanza, T. [1 ]
Ayuela, A. [1 ]
Aguilera-Granja, F. [1 ,2 ]
机构
[1] Univ Basque Country, Fac Quim, Dept Fis Mat,Ctr Fis Mat, Donostia Int Phys Ctr,CFM MPC CSIC UPV EHU, San Sebastian 20018, Spain
[2] Univ Autonoma San Luis Potosi, Inst Fis, San Luis Potosi 78000, San Luis Potosi, Mexico
关键词
BLACK PHOSPHORUS; BAND-GAP; GRAPHENE; PSEUDOPOTENTIALS; SEMICONDUCTOR;
D O I
10.1103/PhysRevB.94.245441
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
While much is known about isoelectronic materials related to carbon nanostructures, such as boron-nitride layers and nanotubes, rather less is known about equivalent silicon-basedmaterials. Following the recent discovery of phosphorene, here we discuss isoelectronic silicon-monosulfide monolayers. We describe a set of anisotropic structures that clearly have a high stability with respect to previously reported silicon-monosulfide monolayers. The source of the layer anisotropy is related to the presence of Si-S double chains linked by some Si-Si covalent bonds together with a remarkable spd hybridization on Si. The increased stability is related to silicon forming four bonds, including an additional double-bond-like Si-Si bond. The involvement of d orbitals brings more variety to silicon-sulfide-based nanostructures that are isoelectronic to phosphorene, which could be relevant for future applications, adding extra degrees of freedom.
引用
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页数:7
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