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Structure stability and carrier localization inCdX(X=S,Se,Te)semiconductors
Abstract
We studied systematically the structural and electronic properties of binary $\mathrm{Cd}X$ $(X=\mathrm{S},$ Se, and Te) semiconductors in both zinc-blende (ZB) and wurtzite (WZ) structures, the band alignment on the ZB/WZ interfaces, and carrier localization induced by the band offsets. We show, by first-principles band-structure calculation that at low temperature, CdS is stable in the wurtzite structure, while CdSe and CdTe are stable in the zinc-blende structure. However, coherent substrate strain can change CdTe to be more stable in the wurtzite form. We find that $\mathrm{Cd}X$ in the wurtzite structure has a larger band gap than the one in the zinc-blende structure. The band alignment on the ZB/WZ interface is found to be type II with holes localized on the wurtzite side and electrons on the zinc-blende side.
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Cites
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
Cited by
Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors
Chen, S., Walsh, A., Luo, Y., Yang, J.-H., Gong, X. G., & Wei, S.-H. (2010) · Physical Review B · doi:10.1103/physrevb.82.195203 · Cited by 323
Self-citationSolution-Based Straight and Branched CdTe Nanowires
Kuno, M., Ahmad, O., Protasenko, V., Bacinello, D., & Kosel, T. H. (2006) · Chemistry of Materials · doi:10.1021/cm061559m · Cited by 271
Metadata
- Authors
- Wei, S.-H., & Zhang, S. B.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2000-09-15
- Volume
- 62
- Issue
- 11
- Pages
- 6944-6947
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2073297788
- Cited by
- 240
- References
- 1
- FWCI
- 0.47
- Type
- journal article
- Language
- en
- Open access
- closed
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- Wei, S.-H., & Zhang, S. B. (2000). Structure stability and carrier localization inCdX(X=S,Se,Te)semiconductors. Physical Review B. https://doi.org/10.1103/physrevb.62.6944
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