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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Universiti Kebangsaan Malaysia
2014
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| Online Access: | http://journalarticle.ukm.my/7168/ http://journalarticle.ukm.my/7168/1/01_Bakhtiar.pdf |
| _version_ | 1848811391206555648 |
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| author | Ul Haq, Bakhtiar R., Ahmed A., Shaari A., Afaq R., Hussain |
| author_facet | Ul Haq, Bakhtiar R., Ahmed A., Shaari A., Afaq R., Hussain |
| author_sort | Ul Haq, Bakhtiar |
| building | UKM Institutional Repository |
| collection | Online Access |
| 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. |
| first_indexed | 2025-11-14T23:45:39Z |
| format | Article |
| id | oai:generic.eprints.org:7168 |
| institution | Universiti Kebangasaan Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T23:45:39Z |
| publishDate | 2014 |
| publisher | Universiti Kebangsaan Malaysia |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | oai:generic.eprints.org: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/ |
| 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 |
| title | 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_short | 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 |
| url | http://journalarticle.ukm.my/7168/ http://journalarticle.ukm.my/7168/ http://journalarticle.ukm.my/7168/1/01_Bakhtiar.pdf |