Merabet, M.Rached, D.Benalia, S.Reshak, A. H.Bettahar, N.Righi, H.Labair, M.2025-05-102025-05-1020140749-603610.1016/j.spmi.2013.10.0372-s2.0-84889668057https://doi.org/10.1016/j.spmi.2013.10.037https://hdl.handle.net/20.500.14720/10631Reshak, A/0000-0001-9426-8363; Sallah Eddine, Benalia/0000-0003-0326-8056; Haroun, Righi/0000-0002-5138-162X; Soyalp, Fethi/0000-0002-4053-2189Using 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.eninfo:eu-repo/semantics/closedAccessDmssSuperlatticesElectronic StructureMagnetic PropertiesArticle65Q2N/A195205WOS:000330820100021