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

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About: Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)(n)/(CrP)(m) by density functional calculations Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S0749603613003741
Description	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. 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. (en)
Title	Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)(n)/(CrP)(m) by density functional calculations Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)(n)/(CrP)(m) by density functional calculations (en)
skos:prefLabel	Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)(n)/(CrP)(m) by density functional calculations Half-metallic ferromagnetism in Al1-xCrxP and superlattices (AlP)(n)/(CrP)(m) by density functional calculations (en)
skos:notation	RIV/60076658:12520/14:43886871!RIV15-MSM-12520___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED2.1.00/01.0024)
http://linked.open...iv/cisloPeriodika	Neuveden
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Reshak, Ali Hussain
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Jihočeská univerzita v Českých Budějovicích / Fakulta rybářství a ochrany vod
http://linked.open...dnocenehoVysledku	18732
http://linked.open...ai/riv/idVysledku	RIV/60076658:12520/14:43886871
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Magnetic properties; Electronic structure; Superlattices; DMSs (en)
http://linked.open.../riv/klicoveSlovo	DMSs Electronic structure Superlattices Magnetic properties
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[50F006BE832A]
http://linked.open...i/riv/nazevZdroje	Superlattices and Microstructures
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	9 (xsd:int)
http://linked.open...vavai/riv/projekt	South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	65
http://linked.open...iv/tvurceVysledku	Reshak, Ali Hussain Baltache, H. Rached, D. Benalia, S. Merabet, M. Righi, H. Soyalp, F. Bettahar, N. Labair, M.
http://linked.open...ain/vavai/riv/wos	000330820100021
issn	0749-6036
number of pages	11 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.spmi.2013.10.037
http://localhost/t...ganizacniJednotka	12520

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