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research article

Cation-site intrinsic defects in Zn-doped CdTe

Carvalho, A.
•
Tagantsev, A. K.  
•
Oberg, S.
Show more
2010
Physical Review B

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.

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Type
research article
DOI
10.1103/PhysRevB.81.075215
Web of Science ID

WOS:000274998200070

Author(s)
Carvalho, A.
Tagantsev, A. K.  
Oberg, S.
Briddon, P. R.
Setter, N.  
Date Issued

2010

Published in
Physical Review B
Volume

81

Issue

7

Article Number

075215

Subjects

1St-Principles Calculation

•

Electronic-Structure

•

Cadmium Telluride

•

Cd1-Xznxte Alloy

•

Solid-Solutions

•

Crystal-Growth

•

Native Defects

•

Bond Lengths

•

Solar-Cells

•

Cdznte

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LC  
Available on Infoscience
March 20, 2010
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/48334
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