DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors
The injection impurity element into ZnO has added new dimension to its versatile applications particularly in spintronics and optoelectronics. In this work, we are reporting effect of non magnetic Ti, and magnetic V impurities in ZnO. The substitution of impurity atoms has been done in ground state...
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| Format: | Conference or Workshop Item |
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2013
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| author | Ul haq, Bakhtiar Ahmed, Rashid Shaari, Amiruddin Hussain, Rafaqat Mohamad, Mazmira |
| author_facet | Ul haq, Bakhtiar Ahmed, Rashid Shaari, Amiruddin Hussain, Rafaqat Mohamad, Mazmira |
| author_sort | Ul haq, Bakhtiar |
| collection | ePrints |
| description | The injection impurity element into ZnO has added new dimension to its versatile applications particularly in spintronics and optoelectronics. In this work, we are reporting effect of non magnetic Ti, and magnetic V impurities in ZnO. The substitution of impurity atoms has been done in ground state wurtzite (WZ) and meta stable zinc-blende (ZB) structure. Our investigations have revealed a small difference in WZ and ZB geometries of contaminated ZnO reflecting on the possibility of their experimental fabrication. Spin polarized electronic structures resembled nonmagnetic nature of Ti:ZnO in WZ and magnetic nature in ZB geometry. Similarly introduction of V in to ZnO induced magnetization in ZnO in both WZ and ZB geometry. For these investigations, we have adapted DFT approach using FP-L(APW+lo) method implemented in WIEN2k code. |
| first_indexed | 2024-03-05T19:52:13Z |
| format | Conference or Workshop Item |
| id | utm.eprints-61796 |
| institution | Universiti Teknologi Malaysia - ePrints |
| last_indexed | 2024-03-05T19:52:13Z |
| publishDate | 2013 |
| record_format | dspace |
| spelling | utm.eprints-617962017-04-26T06:41:10Z http://eprints.utm.my/61796/ DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors Ul haq, Bakhtiar Ahmed, Rashid Shaari, Amiruddin Hussain, Rafaqat Mohamad, Mazmira QC Physics The injection impurity element into ZnO has added new dimension to its versatile applications particularly in spintronics and optoelectronics. In this work, we are reporting effect of non magnetic Ti, and magnetic V impurities in ZnO. The substitution of impurity atoms has been done in ground state wurtzite (WZ) and meta stable zinc-blende (ZB) structure. Our investigations have revealed a small difference in WZ and ZB geometries of contaminated ZnO reflecting on the possibility of their experimental fabrication. Spin polarized electronic structures resembled nonmagnetic nature of Ti:ZnO in WZ and magnetic nature in ZB geometry. Similarly introduction of V in to ZnO induced magnetization in ZnO in both WZ and ZB geometry. For these investigations, we have adapted DFT approach using FP-L(APW+lo) method implemented in WIEN2k code. 2013 Conference or Workshop Item PeerReviewed Ul haq, Bakhtiar and Ahmed, Rashid and Shaari, Amiruddin and Hussain, Rafaqat and Mohamad, Mazmira (2013) DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors. In: The 27th Regional Conference of Solid State Science and Technology (RCSSST27) 2013, 20-22 Dec, 2013, Sabah, Malaysia. http://my.masshp.net/archives/74 |
| spellingShingle | QC Physics Ul haq, Bakhtiar Ahmed, Rashid Shaari, Amiruddin Hussain, Rafaqat Mohamad, Mazmira DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors |
| title | DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors |
| title_full | DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors |
| title_fullStr | DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors |
| title_full_unstemmed | DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors |
| title_short | DFT investigations of Ti, V doped ZnO based diluted magnetic semiconductors |
| title_sort | dft investigations of ti v doped zno based diluted magnetic semiconductors |
| topic | QC Physics |
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