Mechanical, electronic, thermodynamic and vibrational properties of X
DFT
Elastic constant
Electronic structure
First principle
Phonon
Journal
Journal of molecular modeling
ISSN: 0948-5023
Titre abrégé: J Mol Model
Pays: Germany
ID NLM: 9806569
Informations de publication
Date de publication:
25 Oct 2022
25 Oct 2022
Historique:
received:
25
03
2022
accepted:
17
10
2022
entrez:
25
10
2022
pubmed:
26
10
2022
medline:
26
10
2022
Statut:
epublish
Résumé
Due to growing interest to predict and design new potential Heusler alloys by using theoretical calculations and highly functional software, research on Heusler alloys has taken great attention. From this point of view, this study considers investigation of X
Identifiants
pubmed: 36282362
doi: 10.1007/s00894-022-05358-7
pii: 10.1007/s00894-022-05358-7
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
366Informations de copyright
© 2022. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.
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