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

页码：142 / 146

页数：5

共 50 条

[31] Synthesis and structures of polysilacage compounds containing a silicon-silicon inter-element linkage
Shimizu, M
Hiyama, T
Matsubara, T
Yamabe, T
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2000, 611 (1-2) : 12 - 19
[32] Growth of epitaxially oriented silicon carbide on silicon by laser ablation of carbon targets and the structure of the silicon-silicon carbide interface
Rimai, L
Ager, R
Hangas, J
Samman, A
SILICON CARBIDE AND RELATED MATERIALS 1995, 1996, 142 : 205 - 208
[33] Grain orientation and grain boundaries in cast multicrystalline silicon
Voigt, A
Wolf, E
Strunk, HP
MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY, 1998, 54 (03): : 202 - 206
[34] Studies of 1,2-Dihalo Shifts in Carbon-Carbon, Carbon-Silicon, and Silicon-Silicon Systems: A Computational Study
Damrauer, Robert
ORGANOMETALLICS, 2012, 31 (23) : 8426 - 8436
[35] Grain orientation and grain boundaries in cast multicrystalline silicon
Univ of Erlangen, Erlangen, Germany
Mater Sci Eng B Solid State Adv Technol, 3 (202-206):
[36] Amorphous structure of grain boundaries and grain junctions in nanocrystalline silicon by molecular-dynamics simulation
Keblinski, P
Phillpot, SR
Wolf, D
Gleiter, H
ACTA MATERIALIA, 1997, 45 (03) : 987 - 998
[37] Functionalization of nanocrystalline porous silicon surfaces with aryllithium reagents: Formation of silicon-carbon bonds by cleavage of silicon-silicon bonds
Song, JH
Sailor, MJ
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (10) : 2376 - 2381
[38] Atomic and electronic structure of high-energy grain boundaries in silicon and carbon
Cleri, F
COMPUTATIONAL MATERIALS SCIENCE, 2001, 20 (3-4) : 351 - 362
[39] On the Electrical Characterization of Grain Boundaries in Multicrystalline Silicon
Chen, J.
Cornagliotti, E.
Hieckmann, E.
Behrendt, S.
Weber, J.
Simoen, E.
Poortmans, J.
PHOTOVOLTAICS FOR THE 21ST CENTURY 6, 2011, 33 (17): : 71 - 80
[40] Energies of (001) twist grain boundaries in silicon
Otsuki, A
ACTA MATERIALIA, 2001, 49 (10) : 1737 - 1745

← 1 2 3 4 5 →