Simulation of carbon containing complexes at silicon-silicon grain boundaries in cluster approximation

被引：2
|
作者：
Pushkarchuk, AL
Saad, AM
Fedotov, AK
Kuten, SA
机构：
[1] Belarusian State Univ, Minsk 220050, BELARUS
[2] Belarusian State Univ, Inst Nucl Problems, Minsk 220050, BELARUS
[3] Al Balqa Appl Univ, Amman 11953, Jordan
来源：
THIN SOLID FILMS | 2005年 / 487卷 / 1-2期
关键词：
polycrystalline silicone; grain boundary; carbon;
D O I：
10.1016/j.tsf.2005.01.055
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The transformation of the "core" for the tilt theta 5 theta=37 [001]/(130) grain boundary (GB) in polycrystalline silicon due to incorporation of carbon atoms is studied with a method of molecular orbital-linear combinations of atomic orbital (MO LCAO) in PM3 approximation. Insertion of carbon atoms into 5- or 7-fold interstitial positions at GB "core" formed donor-like complexes which are composed of combined Si2C, Si3C or Si4C configurations depending on number x of incorporated C-atoms, Energy levels of such complexes are shifted to the bottom of the conductive band from E-c-0.536 eV to E-c-0.043 eV with increasing x front 1 to 4. (C) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：142 / 146
页数：5
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