Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)n/(CrP)m by density functional calculations

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Main Authors: M., Merabet, Djamel, Rached, S., Benalia, Ali Hussain, Reshak, Prof. Dr., Bettahar, N., Righi, H., Baltache, H., Soyalp, F., Labair, M.
Other Authors: rachdj@yahoo.fr
Format: Article
Language:English
Published: Elsevier 2014
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Online Access:http://dspace.unimap.edu.my:80/dspace/handle/123456789/35299
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spelling 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
institution Universiti Malaysia Perlis
building UniMAP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Perlis
content_source UniMAP Library Digital Repository
url_provider http://dspace.unimap.edu.my/
language English
topic DMSs
Superlattices
Electronic structure
Magnetic properties
spellingShingle 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
description Link to publisher's homepage at http://www.journals.elsevier.com
author2 rachdj@yahoo.fr
author_facet 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.
author_sort 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
publisher Elsevier
publishDate 2014
url http://dspace.unimap.edu.my:80/dspace/handle/123456789/35299
_version_ 1643797765694685184
score 13.22586