ENERGY-LEVEL CALCULATIONS OF THE RECONSTRUCTED 90-DEGREES PARTIAL DISLOCATION IN SILICON

被引：15

作者：

MARKLUND, S

WANG, YL

机构：

[1] CHINESE CTR ADV SCI & TECHNOL WORLD LAB,BEIJING 100080,PEOPLES R CHINA

[2] CHINESE ACAD SCI,INST SEMICOND,BEIJING 100083,PEOPLES R CHINA

来源：

SOLID STATE COMMUNICATIONS | 1992年 / 82卷 / 02期

关键词：

D O I：

10.1016/0038-1098(92)90688-6

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

An LCAO scheme taking into account 10 atomic orbitals (s-, p-, and d-type) applied to a supercell containing 256 atoms is used to calculate the bound states of the reconstructed 90-degrees partial dislocation in Si. The results differ significantly from our earlier calculations on the unreconstructed 90-degrees partial using the same method. We find two bands separate from each other in the entire Brillouin zone and the upper band penetrates deep into the indirect band gap which is in contradiction with the general opinion that core reconstruction clears the band gap of dislocation states.

引用

页码：137 / 140

页数：4

共 30 条

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[2]

ANSTIS GR, 1981, I PHYS C SERIES, V60, P15

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