Self-compensation in chlorine-doped CdTe

dc.contributor.author	Orellana, Walter
dc.contributor.author	Menéndez-Proupin, Eduardo
dc.contributor.author	Flores, Mauricio A
dc.date.accessioned	2023-05-16T20:36:44Z
dc.date.available	2023-05-16T20:36:44Z
dc.date.issued	2019-12
dc.description	IDEXACIÓN:SCOPUS	es
dc.description.abstract	Defect energetics, charge transition levels, and electronic band structures of several Cl-related complexes in CdTe are studied using density-functional theory calculations. We investigate substitutional chlorine (ClTe and ClCd) and complexes formed by ClTe with the cadmium vacancy (ClTe-VCd and 2ClTe-VCd) and the TeCd antisite (ClTe-TeCd). Our calculations show that none of the complexes studied induce deep levels in the CdTe band gap. Moreover, we find that ClTe-VCd and ClTe are the most stable Cl-related centers in n-type and p-type CdTe, under Te-rich growth conditions, showing shallow donor and acceptor properties, respectively. This result suggests that the experimentally-observed Fermi level pinning near midgap would be originated in self-compensation. We also find that the formation of the ClTe-TeCd complex passivates the deep level associated to the Te antisite in neutral charge state. © 2019, The Author(s).	es
dc.identifier.citation	Scientific ReportsOpen AccessVolume 9, Issue 11 December 2019 Article number 9194	es
dc.identifier.issn	20452322
dc.identifier.uri	https://repositorio.unab.cl/xmlui/handle/ria/49704
dc.language.iso	en	es
dc.title	Self-compensation in chlorine-doped CdTe	es
dc.type	Artículo	es

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