RT info:eu-repo/semantics/article T1 Self-trapping in B-doped amorphous Si: Intrinsic origin of low acceptor efficiency A1 Santos Tejido, Iván A1 Castrillo, P. A1 Windl, W. A1 Drabold, D. A. A1 Pelaz Montes, María Lourdes A1 Marqués Cuesta, Luis Alberto K1 Silicio cristalino K1 Crystalline silicon AB 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. PB American Physical Society SN 2469-9950 YR 2010 FD 2010 LK http://uvadoc.uva.es/handle/10324/31965 UL http://uvadoc.uva.es/handle/10324/31965 LA eng NO Physical Review B, 2010, 81, 033203 NO Producción Científica DS UVaDOC RD 23-nov-2024