Self-compensation in phosphorus-doped CdTe
| dc.contributor.author | Flores, M.A. | |
| dc.contributor.author | Orellana, W. | |
| dc.contributor.author | Menéndez-Proupin, E. | |
| dc.date.accessioned | 2018-06-25T16:06:29Z | |
| dc.date.available | 2018-06-25T16:06:29Z | |
| dc.date.issued | 2017 | |
| dc.description | Indexación: Scopus. | es_ES |
| dc.description.abstract | We investigate the self-compensation mechanism in phosphorus-doped CdTe. The formation energies, charge transition levels, and defect states of several P-related point defects susceptible to cause self-compensation are addressed by first-principles calculations. Moreover, we assess the influence of the spin-orbit coupling and supercell-size effects on the stability of AX centers, which are believed to be responsible for most of the self-compensation. We report an improved result for the lowest-energy configuration of the P interstitial (Pi) and find that the self-compensation mechanism is not due to the formation of AX centers. Under Te-rich growth conditions, (Pi) exhibits a formation energy lower than the substitutional acceptor (PTe) when the Fermi level is near the valence band, acting as compensating donor, while, for Cd-rich growth conditions, our results suggest that p-type doping is limited by the formation of (PTe-VTe) complexes. | es_ES |
| dc.description.uri | https://journals.aps.org/prb/abstract/10.1103/PhysRevB.96.134115 | |
| dc.description.uri | https://arxiv.org/pdf/1708.01847.pdf | |
| dc.identifier.citation | Physical Review B, 96(13), art. no. 134115 | es_ES |
| dc.identifier.issn | 2469-9950 | |
| dc.identifier.other | DOI: 10.1103/PhysRevB.96.134115 | |
| dc.identifier.uri | http://repositorio.unab.cl/xmlui/handle/ria/6170 | |
| dc.language.iso | en | es_ES |
| dc.publisher | American Physical Society | es_ES |
| dc.title | Self-compensation in phosphorus-doped CdTe | es_ES |
| dc.type | Preprint | es_ES |
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