Self-trapping in B-doped amorphous Si: Intrinsic origin of low acceptor efficiency

被引：10

作者：

Santos, I. ^{[1
,2
]}

Castrillo, P. ^{[2
]}

Windl, W. ^{[1
]}

Drabold, D. A. ^{[3
]}

Pelaz, L. ^{[2
]}

Marques, L. A. ^{[2
]}

机构：

[1] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA

[2] Univ Valladolid, ETSI Telecomunicac, Dept Elect & Elect, E-47011 Valladolid, Spain

[3] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA

来源：

PHYSICAL REVIEW B | 2010年 / 81卷 / 03期

关键词：

TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SILICON; GERMANIUM; STATES;

D O I：

10.1103/PhysRevB.81.033203

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have used ab initio simulations to study the doping efficiency of amorphous semiconductors, in particular of B-doped amorphous Si. We have found that even in the optimum case of substitutional doping in dangling-bond free amorphous Si the holes provided by B atoms do not behave as free carriers. Instead, they are trapped into regions with locally distorted bond angles. Thus, the effective activation energy for hole conduction turns to be the hole binding energy to these traps. In the case of high B concentration, the trap states move deeper in the gap and the binding energy and spatial localization of holes increase. In addition, B atoms have lower energies for shorter bond lengths, configurations favored in the vicinity of these traps.

引用

页数：4

共 18 条

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