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/ http://journalarticle.ukm.my/7168/ http://journalarticle.ukm.my/7168/1/01_Bakhtiar.pdf

id	ukm-7168
recordtype	eprints
spelling	ukm-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/
repository_type	Digital Repository
institution_category	Local University
institution	Universiti Kebangasaan Malaysia
building	UKM Institutional Repository
collection	Online Access
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/ http://journalarticle.ukm.my/7168/ http://journalarticle.ukm.my/7168/1/01_Bakhtiar.pdf
first_indexed	2023-09-18T19:48:56Z
last_indexed	2023-09-18T19:48:56Z
_version_	1777406088120893440

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

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