Revisiting the Zinc-BlendeWurtzite Heterocrystalline Structure in CdS
Joint Authors
Li, Mingtao
Wu, Po
Zhou, Zhaohui
Guo, Liejin
Source
Advances in Condensed Matter Physics
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-06-09
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
The band offset at CdS zinc-blende (ZB)/wurtzite (WZ) heterocrystalline interface was revisited using the first principles calculations with the local density approximation (LDA), generalized gradient approximation (GGA), and Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional.
It was revealed that, unlike most IV, III-V, and II-VI semiconductors, the band alignment at CdS ZB/WZ heterocrystalline interface was of type-I with straddling lineup of band edges, which was irrespective of the exchange-correlation energy functional, the thickness of ZB and WZ segments, and the ZB/WZ interface location.
The partial charge densities of VBM and CBM states were separated around two adjacent interfaces in one unit cell of heterocrystalline superlattice.
This type of carrier localization was mainly attributed to the spontaneous polarization occurring in the WZ segment rather than the band offset at the interface.
American Psychological Association (APA)
Zhou, Zhaohui& Li, Mingtao& Wu, Po& Guo, Liejin. 2014. Revisiting the Zinc-BlendeWurtzite Heterocrystalline Structure in CdS. Advances in Condensed Matter Physics،Vol. 2014, no. 2014, pp.1-7.
https://search.emarefa.net/detail/BIM-465877
Modern Language Association (MLA)
Zhou, Zhaohui…[et al.]. Revisiting the Zinc-BlendeWurtzite Heterocrystalline Structure in CdS. Advances in Condensed Matter Physics No. 2014 (2014), pp.1-7.
https://search.emarefa.net/detail/BIM-465877
American Medical Association (AMA)
Zhou, Zhaohui& Li, Mingtao& Wu, Po& Guo, Liejin. Revisiting the Zinc-BlendeWurtzite Heterocrystalline Structure in CdS. Advances in Condensed Matter Physics. 2014. Vol. 2014, no. 2014, pp.1-7.
https://search.emarefa.net/detail/BIM-465877
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-465877