Electronic structure and magnetic properties of Co2TaAl from ab initio calculations

p. 286-289

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Main Author:	Saadi Berri
Format:	Article
Language:	English
Published:	ĐHQGHN 2017
Subjects:	Heusler compound Ab initio calculations Spintronic Half-metallic Electronic structure
Online Access:	http://repository.vnu.edu.vn/handle/VNU_123/58123
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Institution:	Vietnam National University, Hanoi
Language:	English

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spelling	oai:112.137.131.14:VNU_123-581232017-09-30T20:24:07Z Electronic structure and magnetic properties of Co2TaAl from ab initio calculations Saadi Berri Heusler compound Ab initio calculations Spintronic Half-metallic Electronic structure p. 286-289 A first-principles approach is used to study the structural, electronic and magnetic properties of the Co2TaAl Heusler compound with CuHg2Ti-type structure. The investigation was done using the (FP-LAPW) method where the exchange-correlation potential was calculated with the frame of GGA by Perdew et al. (Phys. Rev. Lett. 77 (1996) 3865). At ambient conditions our calculations predict that Co2TaAl is half-metallic ferromagnet (HMF) with a magnetic moment of 2mB/fu and HM flip gap of 0.58 eV. In addition, the ferromagnetic phase is found to be energetically more favorable than para-magnetic phase. Therefore, the Co2TaAl Heusler compound is a candidate material for future spintronic applications 2017-08-24T02:17:43Z 2017-08-24T02:17:43Z 2016 Article 2468-2284 http://repository.vnu.edu.vn/handle/VNU_123/58123 en application/pdf ĐHQGHN
institution	Vietnam National University, Hanoi
building	VNU Library & Information Center
country	Vietnam
collection	VNU Digital Repository
language	English
topic	Heusler compound Ab initio calculations Spintronic Half-metallic Electronic structure
spellingShingle	Heusler compound Ab initio calculations Spintronic Half-metallic Electronic structure Saadi Berri Electronic structure and magnetic properties of Co2TaAl from ab initio calculations
description	p. 286-289
format	Article
author	Saadi Berri
author_facet	Saadi Berri
author_sort	Saadi Berri
title	Electronic structure and magnetic properties of Co2TaAl from ab initio calculations
title_short	Electronic structure and magnetic properties of Co2TaAl from ab initio calculations
title_full	Electronic structure and magnetic properties of Co2TaAl from ab initio calculations
title_fullStr	Electronic structure and magnetic properties of Co2TaAl from ab initio calculations
title_full_unstemmed	Electronic structure and magnetic properties of Co2TaAl from ab initio calculations
title_sort	electronic structure and magnetic properties of co2taal from ab initio calculations
publisher	ĐHQGHN
publishDate	2017
url	http://repository.vnu.edu.vn/handle/VNU_123/58123
_version_	1680967949096058880

Electronic structure and magnetic properties of Co2TaAl from ab initio calculations

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