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Cation-site intrinsic defects in Zn-doped CdTe
School of Physics, University of Exeter.
Ceramics Laboratory, Swiss Federal Institute of Technology (EPFL), Lausanne.
Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Matematiska vetenskaper.ORCID-id: 0000-0002-0292-1159
School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
Vise andre og tillknytning
2010 (engelsk)Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 81, nr 7, s. 75215-Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The properties of the cation vacancy and the Te antisite, two dominant defects in CdTe and Cd1-xZnxTe alloys grown in Te-rich conditions, are examined using first-principles calculations. First, the structure, electronic levels, and migration paths of V-Cd and Te-Cd in CdTe are studied in detail. Additionally, we analyze the evolution of the stability and electronic properties in Cd1-xZnxTe alloys, taking into account both the role of alloying in the position of the ionization levels and its effects on the equilibrium concentration of those two defects. It is shown that the formation of cation vacancies becomes progressively more favorable as x increases, whereas Te antisites become less stable, backing the trend towards p-type conductivity in dilute Cd1-xZnxTe.

sted, utgiver, år, opplag, sider
2010. Vol. 81, nr 7, s. 75215-
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URN: urn:nbn:se:ltu:diva-11456DOI: 10.1103/PhysRevB.81.075215ISI: 000274998200070Scopus ID: 2-s2.0-77954848438Lokal ID: a6afc210-3354-11df-b933-000ea68e967bOAI: oai:DiVA.org:ltu-11456DiVA, id: diva2:984406
Merknad
Validerad; 2010; 20100319 (andbra)Tilgjengelig fra: 2016-09-29 Laget: 2016-09-29 Sist oppdatert: 2018-07-10bibliografisk kontrollert

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