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
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
107651Informations 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.