Quasiparticle electronic and optical properties of the Si-Sn system

被引：17

作者：

Jensen, Rasmus V. S. ^{[1
]}

Pedersen, Thomas G. ^{[1
]}

Larsen, Arne N. ^{[2
]}

机构：

[1] Univ Aalborg, Dept Phys & Nanotechnol, DK-9220 Aalborg, Denmark

[2] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2011年 / 23卷 / 34期

关键词：

SPACE GAUSSIAN PSEUDOPOTENTIALS; BAND-STRUCTURE CALCULATIONS; STRUCTURAL-PROPERTIES; SILICON; DENSITY; SEMICONDUCTORS; SOLIDS; ATOMS; GESN;

D O I：

10.1088/0953-8984/23/34/345501

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The Si(1-x)Sn(x) material system is an interesting candidate for an optically active material compatible with Si. Based on density functional theory with quasiparticle corrections we calculate the electronic band structure of zinc-blende SiSn under both compressive and tensile strain. At 2.2% tensile strain the band gap becomes direct with a magnitude of 0.85 eV. We develop an accurate tight-binding parameterization of the electronic structure and calculate the optical properties of SiSn. Furthermore, the silicide SiSn(2) is investigated and found to have metallic character.

引用

页数：7

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