Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations
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my.unimap-352992014-06-10T06:24:51Z Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations M., Merabet Djamel, Rached S., Benalia Ali Hussain, Reshak, Prof. Dr. Bettahar, N. Righi, H. Baltache, H. Soyalp, F. Labair, M. rachdj@yahoo.fr DMSs Superlattices Electronic structure Magnetic properties Link to publisher's homepage at http://www.journals.elsevier.com Using the first-principles full-potential linear muffin-tin orbital (FP-LMTO) method based on density functional theory, we have investigated the electronic structure and magnetism of order dilute ferromagnetic semiconductor Al1−xCrxP (x = 0.125, 0.25 and 0.50) and the superlattices (AlP)1/(CrP)1 and (AlP)3/(CrP)1. For the exchange-correlation functional, the generalized gradient approximation (GGA) has been used. It is shown that these compounds are half-metallic ferromagnets. Calculations of the s-d exchange constant N0α and p-d exchange constant N0β clearly indicate the magnetic nature of these compounds. We observe that p-d hybridization reduces the local magnetic moment of Cr from its free space charge value and produces small local magnetic moments on the non-magnetic Al and P sites. 2014-06-10T06:24:51Z 2014-06-10T06:24:51Z 2014-01 Article Superlattices and Microstructures, vol.65, 2014, pages 195–205 0749-6036 http://dspace.unimap.edu.my:80/dspace/handle/123456789/35299 http://www.sciencedirect.com/science/article/pii/S0749603613003741 10.1016/j.spmi.2013.10.037 en Elsevier |
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DMSs Superlattices Electronic structure Magnetic properties |
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DMSs Superlattices Electronic structure Magnetic properties M., Merabet Djamel, Rached S., Benalia Ali Hussain, Reshak, Prof. Dr. Bettahar, N. Righi, H. Baltache, H. Soyalp, F. Labair, M. Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations |
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Link to publisher's homepage at http://www.journals.elsevier.com |
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rachdj@yahoo.fr |
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rachdj@yahoo.fr M., Merabet Djamel, Rached S., Benalia Ali Hussain, Reshak, Prof. Dr. Bettahar, N. Righi, H. Baltache, H. Soyalp, F. Labair, M. |
format |
Article |
author |
M., Merabet Djamel, Rached S., Benalia Ali Hussain, Reshak, Prof. Dr. Bettahar, N. Righi, H. Baltache, H. Soyalp, F. Labair, M. |
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M., Merabet |
title |
Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations |
title_short |
Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations |
title_full |
Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations |
title_fullStr |
Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations |
title_full_unstemmed |
Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations |
title_sort |
half-metallic ferromagnetism in al1-xcrxp and superlattices (alp)n/(crp)m by density functional calculations |
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Elsevier |
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2014 |
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http://dspace.unimap.edu.my:80/dspace/handle/123456789/35299 |
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