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oai:uvadoc.uva.es:10324/319652025-03-26T19:10:04Zcom_10324_1148com_10324_931com_10324_894com_10324_28025com_10324_954col_10324_1270col_10324_28026

Self-trapping in B-doped amorphous Si: Intrinsic origin of low acceptor efficiency Santos Tejido, Iván Castrillo, P. Windl, W. Drabold, D. A. Pelaz Montes, María Lourdes Marqués Cuesta, Luis Alberto Producción Científica 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. 2018-10-02T11:00:44Z 2018-10-02T11:00:44Z 2010 info:eu-repo/semantics/article Physical Review B, 2010, 81, 033203 2469-9950 http://uvadoc.uva.es/handle/10324/31965 10.1103/PhysRevB.81.033203 eng https://journals.aps.org/prb/abstract/10.1103/PhysRevB.81.033203 info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/4.0/ © 2010 The American Physical Society Attribution-NonCommercial-NoDerivatives 4.0 International American Physical Society SI