DOI: 10.1063/1.2775835. Stability and electronic structures of CuxTe

Stability and electronic structures of CuxTe

10.1063/1.2775835

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

In this work, the authors study the stability and electronic properties of CuxTe as a function of the Cu∕Te ratio using first-principles calculations. They find that CuxTe shows bistability with energy minimum at x≈1.25 and x≈1.75. At low x, CuxTe is more stable in the tetragonal-based structures, whereas for x&gt;1.47, it is more stable in the trigonal-based structures. The valence-band maximum of Cu2Te is found to be 0.7eV higher than that of CdTe, indicating that it can easily be doped p type. The Cu diffusion barriers and hole density decrease with increasing Cu concentration, indicating that for x∼2, ionic conductivity may play a role.

Bibliography

Da Silva, J. L. F., Wei, S.-H., Zhou, J., & Wu, X. (2007). Stability and electronic structures of CuxTe. Applied Physics Letters, 91(9).

Authors 4

Juarez L. F. Da Silva (first)
Su-Huai Wei (additional)
Jie Zhou (additional)
Xuanzhi Wu (additional)

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Dates

Type	When
Created	18 years ago (Aug. 27, 2007, 6:12 p.m.)
Deposited	1 year, 6 months ago (Feb. 17, 2024, 11:27 a.m.)
Indexed	3 weeks, 6 days ago (Aug. 2, 2025, 12:53 a.m.)
Issued	18 years ago (Aug. 27, 2007)
Published	18 years ago (Aug. 27, 2007)
Published Online	18 years ago (Aug. 27, 2007)
Published Print	18 years ago (Aug. 27, 2007)

Funders 0

None

BibTeX

@article{Da_Silva_2007, title={Stability and electronic structures of CuxTe}, volume={91}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.2775835}, DOI={10.1063/1.2775835}, number={9}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Da Silva, Juarez L. F. and Wei, Su-Huai and Zhou, Jie and Wu, Xuanzhi}, year={2007}, month=aug }

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