ELECTRONIC-STRUCTURE OF SNS2, SNSE2, CDI2 AND PBI2

被引：130

作者：

ROBERTSON, J

机构：

[1] Central Electricity Research Laboratories, Leatherhead, Surrey KT22 7SE, Kelvin Avenue

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1979年 / 12卷 / 22期

关键词：

D O I：

10.1088/0022-3719/12/22/017

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The band structures of the layer compounds SnS2, SnSe 2, CdI2 and PbI2 are calculated by the tight-binding method. They are in closer agreement with experimental results and previous pseudopotential calculations than previous tight-binding results have been. A universal band structure for the family is found by use of approximate algebraic band energies. For the 16-electron crystals a Gamma 2 - to L1+ indirect gap and a main optical transition due to anion p-cation p orbitals is found, whilst for PbI2 the gap is direct at A.

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页码：4753 / 4766

页数：14

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