The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe
Joint Authors
Khan, Imad
Khan, Sajid
Iqbal, Javid
Rahnamaye Aliabad, H. A.
Ali, Zahid
Ahmad, Iftikhar
Source
Issue
Vol. 2016, Issue 2016 (31 Dec. 2016), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2016-03-02
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
We communicate theoretical results of the structural, electronic, and optical properties of Z n O x T e 1 - x ( 0 ≤ x ≤ 1 ) in the zincblende structure.
The calculations are performed using full potential linearized augmented plane waves (FP-LAPW) method, based on density functional theory (DFT).
The structural properties are calculated with simple GGA (PBEsol), while the electronic and optical properties are calculated using mBJ-GGA.
The mBJ-GGA is used to properly treat the active d-orbital in their valence shell.
The ZnOTe alloy is highly lattice mismatched and consequently the lattice constants and bulk moduli largely deviate from the linear behavior.
The calculated bandgaps are in agreement with the experimentally measured values, where the nature of bandgaps is direct for the whole range of x except at x = 0.25 .
We also calculate the bandgap bowing parameter from our accurate bandgaps and resolve the existing controversy in this parameter.
American Psychological Association (APA)
Khan, Imad& Khan, Sajid& Iqbal, Javid& Rahnamaye Aliabad, H. A.& Ali, Zahid& Ahmad, Iftikhar. 2016. The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe. Journal of Chemistry،Vol. 2016, no. 2016, pp.1-8.
https://search.emarefa.net/detail/BIM-1107767
Modern Language Association (MLA)
Khan, Imad…[et al.]. The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe. Journal of Chemistry No. 2016 (2016), pp.1-8.
https://search.emarefa.net/detail/BIM-1107767
American Medical Association (AMA)
Khan, Imad& Khan, Sajid& Iqbal, Javid& Rahnamaye Aliabad, H. A.& Ali, Zahid& Ahmad, Iftikhar. The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe. Journal of Chemistry. 2016. Vol. 2016, no. 2016, pp.1-8.
https://search.emarefa.net/detail/BIM-1107767
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1107767