Cation-site intrinsic defects in Zn-doped CdTe

Validerad; 2010; 20100319 (andbra)
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.

Tagantsev, A.K.Ceramics Laboratory, Swiss Federal Institute of Technology (EPFL), Lausanne (författare)
Öberg, SvenLuleå tekniska universitet,Matematiska vetenskaper(Swepub:ltu)oberg (författare)
Briddon, P.R.School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne (författare)
Setter, N.Ceramics Laboratory, Swiss Federal Institute of Technology (EPFL), Lausanne (författare)
School of Physics, University of ExeterCeramics Laboratory, Swiss Federal Institute of Technology (EPFL), Lausanne (creator_code:org_t)

Ingår i:Physical Review B. Condensed Matter and Materials Physics81:7, s. 75215-1098-01211550-235X

Av författaren/redakt...: Carvahlo, A.; Tagantsev, A.K.; Öberg, Sven; Briddon, P.R.; Setter, N.

Om ämnet

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.