Review of Systematic Tendencies in (001), (011) and (111) Surfaces Using B3PW as Well as B3LYP Computations of BaTiO
B3LYP functional
B3PW and B3LYP computations
B3PW functional
BaTiO3 (011) surface
PbTiO3 (111) surface
PbZrO3 (011) surface
SrTiO3 (001) surface
SrZrO3 (001) surface
polar surfaces
surface energies
Journal
Materials (Basel, Switzerland)
ISSN: 1996-1944
Titre abrégé: Materials (Basel)
Pays: Switzerland
ID NLM: 101555929
Informations de publication
Date de publication:
13 Dec 2023
13 Dec 2023
Historique:
received:
20
10
2023
revised:
08
12
2023
accepted:
11
12
2023
medline:
23
12
2023
pubmed:
23
12
2023
entrez:
23
12
2023
Statut:
epublish
Résumé
We performed B3PW and B3LYP computations for BaTiO
Identifiants
pubmed: 38138765
pii: ma16247623
doi: 10.3390/ma16247623
pii:
doi:
Types de publication
Journal Article
Review
Langues
eng