The role of the A monovalent cation in the AVF<sub>3</sub> perovskite series. A quantum mechanical investigation.

The role of the A monovalent cation in the AVF₃ perovskite series. A quantum mechanical investigation.

Pascale, Fabien; Atallah, Neveen I; El-Kelany, Khaled E; Doll, Klaus; Dovesi, Roberto.

Pascale F; Université de Lorraine-Nancy, CNRS, Laboratoire de Physique et Chimie Théoriques, UMR 7019, Vandoeuvre-les-Nancy, France. fabien.pascale@univ-lorraine.fr.
Atallah NI; Institute of Nanoscience and Nanotechnology, Kafrelsheikh University, 33516 Kafr el-sheikh, Egypt. khaled_elkelany@nano.kfs.edu.eg.
El-Kelany KE; Institute of Nanoscience and Nanotechnology, Kafrelsheikh University, 33516 Kafr el-sheikh, Egypt. khaled_elkelany@nano.kfs.edu.eg.
Doll K; Institute of Theoretical Chemistry, Molpro Quantum Chemistry Software, University of Stuttgart, Stuttgart, Germany.
Dovesi R; ACCADEMIA Delle Scienze Di Torino, Via Accademia delle Scienze 6, 10123 Torino (To), Italy.

Phys Chem Chem Phys ; 25(18): 12961-12973, 2023 May 10.

Article en En | MEDLINE | ID: mdl-37099190

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article