dc.contributor.author | Singh, Mukhtiyar P. | |
dc.contributor.author | Saini, Hardev S. | |
dc.contributor.author | Thakur, Jyoti | |
dc.contributor.author | Ali Hussain, Reshak, Prof. Dr. | |
dc.contributor.author | Kashyap, Manish K. | |
dc.date.accessioned | 2014-06-25T04:05:07Z | |
dc.date.available | 2014-06-25T04:05:07Z | |
dc.date.issued | 2013 | |
dc.identifier.citation | Journal of Solid State Chemistry, vol. 208, 2013, pages 71-77 | en_US |
dc.identifier.issn | 0022-4596 (Print) | |
dc.identifier.issn | 1095-726X (Online) | |
dc.identifier.uri | http://www.sciencedirect.com/science/article/pii/S0022459613004568 | |
dc.identifier.uri | http://dspace.unimap.edu.my:80/dspace/handle/123456789/35869 | |
dc.description | Link to publisher's homepage at http://www.elsevier.com/ | en_US |
dc.description.abstract | Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin polarization and half-metallicity of Mn2CoSi inverse Heusler alloy. The five types of disorder in Mn2CoSi have been proposed and investigated in detail. The A2a-type and B2-type disorders destroy the half-metallicity whereas it sustains for all disorders concentrations in DO3a- and A2b-type disorder and for smallest disorder concentration studied in DO3b-type disorder. Lower formation energy/atom for A2b-type disorder than other four disorders in Mn2CoSi advocates the stability of this disorder. The total magnetic moment shows a strong dependence on the disorder and the change in chemical environment. The 100% spin polarization even in the presence of disorders explicitly supports that these disorders shall not hinder the use of Mn2CoSi inverse Heusler alloy in device applications. | en_US |
dc.language.iso | en | en_US |
dc.publisher | Elsevier Ltd. | en_US |
dc.subject | DFT | en_US |
dc.subject | Disorder | en_US |
dc.subject | Half-metallicity | en_US |
dc.subject | Heusler alloys | en_US |
dc.title | Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy | en_US |
dc.type | Article | en_US |
dc.identifier.url | 10.1016/j.jssc.2013.09.041 | |
dc.contributor.url | msphysik09@gmail.com | en_US |
dc.contributor.url | hardevdft@gmail.com | en_US |
dc.contributor.url | maalidph@yahoo.co.uk | en_US |
dc.contributor.url | manishdft@gmail.com | en_US |