Browsing by Author "Labair, M."

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    Half-Metallic Ferromagnetism in Al1-Xcrxp and Superlattices (alp)n/(crp)m by Density Functional Calculations
    (Academic Press Ltd- Elsevier Science Ltd, 2014) Merabet, M.; Rached, D.; Benalia, S.; Reshak, A. H.; Bettahar, N.; Righi, H.; Labair, M.
    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 N-0 alpha and p-d exchange constant N-0 beta 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. (C) 2013 Elsevier Ltd. All rights reserved.