Phase stability, mechanical, electronic, magnetic and optical properties of tetragonal and cubic M

D0(22) D0(23) DFT Ductile FP-LAPW Intermetallic L1(2)

Journal

Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237

Informations de publication

Date de publication:
11 2020
Historique:
received: 25 02 2020
revised: 21 05 2020
accepted: 22 05 2020
pubmed: 11 7 2020
medline: 22 6 2021
entrez: 11 7 2020
Statut: ppublish

Résumé

The full potential linearized augmented plane wave (FP-LAPW) method was used to investigate the ground states as well as the mechanical, electronic, magnetic and optical properties of M

Identifiants

pubmed: 32650288
pii: S1093-3263(20)30440-X
doi: 10.1016/j.jmgm.2020.107651
pii:
doi:

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

107651

Informations de copyright

Copyright © 2020 Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of competing interest This manuscript has not been published or presented elsewhere in part or in entirety and is not under consideration by another journal. There are no conflicts of interest to declare. Also, we believe that this paper will be of interest to the readership of your journal because your journal aims to provide a central vehicle for the exchange and dissemination of new ideas, technology developments.

Auteurs

A Trad Khodja (A)

Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria.

R Boulechfar (R)

Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria; Département de Technologie, Faculté de Technologie, Université Du 20 Août 1955, Skikda, Algeria.

H Meradji (H)

Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria. Electronic address: hmeradji@yahoo.fr.

Y Akeb (Y)

Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria.

R Chemam (R)

Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria.

S Ghemid (S)

Laboratoire LPR, Département de Physique, Faculté des Sciences, Université Badji Mokhtar, Annaba, Algeria.

S Bin Omran (SB)

Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia.

R Khenata (R)

Laboratoire de Physique Quantique de La Matière et de La Modélisation Mathématique (LPQ3M), Université de Mascara, Mascara, 29000, Algeria.

Xiaotian Wang (X)

School of Physical Science and Technology, Southwest University, Chongqing, 400715, China. Electronic address: xiaotianwang@swu.edu.cn.

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Classifications MeSH