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A study of Cr doping on the structural and electronic properties of ZnO: a first principles study

The central theme of nanotechnology to miniaturize devices has stimulated interest in diluted magnetic semiconductors (DMS). DMS that simultaneously exhibit magnetic and semiconducting behavior are capable of parting properties of two different function devices into one. In this research we present...

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Main Authors: Ul Haq, Bakhtiar, R., Ahmed, A., Shaari, A., Afaq, R., Hussain
Format: Article
Language:English
Published: Universiti Kebangsaan Malaysia 2014
Online Access:http://journalarticle.ukm.my/7168/1/01_Bakhtiar.pdf
http://journalarticle.ukm.my/7168/
http://www.ukm.my/jsm/
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spelling my-ukm.journal.71682016-12-14T06:43:16Z http://journalarticle.ukm.my/7168/ A study of Cr doping on the structural and electronic properties of ZnO: a first principles study Ul Haq, Bakhtiar R., Ahmed A., Shaari A., Afaq R., Hussain The central theme of nanotechnology to miniaturize devices has stimulated interest in diluted magnetic semiconductors (DMS). DMS that simultaneously exhibit magnetic and semiconducting behavior are capable of parting properties of two different function devices into one. In this research we present our first principles investigations related to the structural and electronic properties of, Cr doped zinc-blende (ZB) ZnO, DMS. These calculations are carried out using full potential linearized augmented plane wave plus local orbital (FP-L(APW+lo)) with generalized gradient approximations approach as implemented in WIEN2k code. In this study, the effect of Cr doping on lattice parameters, spin polarized electronic band structure, density of states (DOS) of ZnO is presented and analyzed in detail. Universiti Kebangsaan Malaysia 2014-06 Article PeerReviewed application/pdf en http://journalarticle.ukm.my/7168/1/01_Bakhtiar.pdf Ul Haq, Bakhtiar and R., Ahmed and A., Shaari and A., Afaq and R., Hussain (2014) A study of Cr doping on the structural and electronic properties of ZnO: a first principles study. Sains Malaysiana, 43 (6). pp. 813-817. ISSN 0126-6039 http://www.ukm.my/jsm/
institution Universiti Kebangsaan Malaysia
building Perpustakaan Tun Sri Lanang Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Kebangsaan Malaysia
content_source UKM Journal Article Repository
url_provider http://journalarticle.ukm.my/
language English
description The central theme of nanotechnology to miniaturize devices has stimulated interest in diluted magnetic semiconductors (DMS). DMS that simultaneously exhibit magnetic and semiconducting behavior are capable of parting properties of two different function devices into one. In this research we present our first principles investigations related to the structural and electronic properties of, Cr doped zinc-blende (ZB) ZnO, DMS. These calculations are carried out using full potential linearized augmented plane wave plus local orbital (FP-L(APW+lo)) with generalized gradient approximations approach as implemented in WIEN2k code. In this study, the effect of Cr doping on lattice parameters, spin polarized electronic band structure, density of states (DOS) of ZnO is presented and analyzed in detail.
format Article
author Ul Haq, Bakhtiar
R., Ahmed
A., Shaari
A., Afaq
R., Hussain
spellingShingle Ul Haq, Bakhtiar
R., Ahmed
A., Shaari
A., Afaq
R., Hussain
A study of Cr doping on the structural and electronic properties of ZnO: a first principles study
author_facet Ul Haq, Bakhtiar
R., Ahmed
A., Shaari
A., Afaq
R., Hussain
author_sort Ul Haq, Bakhtiar
title A study of Cr doping on the structural and electronic properties of ZnO: a first principles study
title_short A study of Cr doping on the structural and electronic properties of ZnO: a first principles study
title_full A study of Cr doping on the structural and electronic properties of ZnO: a first principles study
title_fullStr A study of Cr doping on the structural and electronic properties of ZnO: a first principles study
title_full_unstemmed A study of Cr doping on the structural and electronic properties of ZnO: a first principles study
title_sort study of cr doping on the structural and electronic properties of zno: a first principles study
publisher Universiti Kebangsaan Malaysia
publishDate 2014
url http://journalarticle.ukm.my/7168/1/01_Bakhtiar.pdf
http://journalarticle.ukm.my/7168/
http://www.ukm.my/jsm/
_version_ 1643737028148330496
score 13.18916

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