Topological and topological-electronic correlations in amorphous silicon

被引:16
作者
Pan, Yue [1 ]
Zhang, Mingliang [1 ]
Drabold, D. A. [1 ]
机构
[1] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA
基金
美国国家科学基金会;
关键词
silicon; electrical and electrical properties; ab initio;
D O I
10.1016/j.jnoncrysol.2008.02.021
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
in this paper, we study several structural models of amorphous silicon, and discuss structural and electronic features common to all. We note spatial correlations between short bonds, and similar correlations between long bonds. Such effects persist under a first principles relaxation of the system and at finite temperature. Next we explore the nature of the band tail states and find the states to possess a filamentary structure. We detail correlations between local geometry and the band tails. (c) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码:3480 / 3485
页数:6
相关论文
共 28 条
[1]   Ab initio estimate of temperature dependence of electrical conductivity in a model amorphous material:: Hydrogenated amorphous silicon [J].
Abtew, T. A. ;
Zhang, Mingliang ;
Drabold, D. A. .
PHYSICAL REVIEW B, 2007, 76 (04)
[2]   Determining ionic conductivity from structural models of fast ionic conductors [J].
Adams, S ;
Swenson, J .
PHYSICAL REVIEW LETTERS, 2000, 84 (18) :4144-4147
[3]   Structural model of amorphous silicon annealed with tight binding [J].
Bernstein, N. ;
Feldman, J. L. ;
Fornari, M. .
PHYSICAL REVIEW B, 2006, 74 (20)
[4]   Reverse Monte Carlo modeling of amorphous silicon [J].
Biswas, P ;
Atta-Fynn, R ;
Drabold, DA .
PHYSICAL REVIEW B, 2004, 69 (19) :195207-1
[5]  
CALLAWAY J, 1974, QUANTUM THEORY SOLID, pCH5
[6]  
COHEN MH, 1988, IBM J RES DEV, V32
[7]   A source code for tight-binding molecular dynamics simulations [J].
Colombo, L .
COMPUTATIONAL MATERIALS SCIENCE, 1998, 12 (03) :278-287
[8]   COMPUTER-MODEL OF TETRAHEDRAL AMORPHOUS DIAMOND [J].
DJORDJEVIC, BR ;
THORPE, MF ;
WOOTEN, F .
PHYSICAL REVIEW B, 1995, 52 (08) :5685-5689
[9]   Atomistic structure of band-tail states in amorphous silicon [J].
Dong, JJ ;
Drabold, DA .
PHYSICAL REVIEW LETTERS, 1998, 80 (09) :1928-1931
[10]   Band-tail states and the localized-to-extended transition in amorphous diamond [J].
Dong, JJ ;
Drabold, DA .
PHYSICAL REVIEW B, 1996, 54 (15) :10284-10287