First-principles electronic structure calculations for the whole spinel oxide solid solution range MnxCo3-xO4 (0 &#8804; x &#8804; 3) and their comparison with experimental data.

Arras, Rémi; Ly Le, Thi; Guillemet-Fritsch, Sophie; Dufour, Pascal; Tenailleau, Christophe

First-principles electronic structure calculations for the whole spinel oxide solid solution range Mn_xCo_3-xO₄ (0 ≤ x ≤ 3) and their comparison with experimental data.

Arras, Rémi; Ly Le, Thi; Guillemet-Fritsch, Sophie; Dufour, Pascal; Tenailleau, Christophe.

Afiliação

Arras R; CEMES, Université de Toulouse, CNRS, UPS, 29, rue Jeanne-Marvig, F-31055 Toulouse, France. remi.arras@cemes.fr.
Ly Le T; CIRIMAT, Université de Toulouse, CNRS, INPT, UPS, 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
Guillemet-Fritsch S; CIRIMAT, Université de Toulouse, CNRS, INPT, UPS, 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
Dufour P; CIRIMAT, Université de Toulouse, CNRS, INPT, UPS, 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.
Tenailleau C; CIRIMAT, Université de Toulouse, CNRS, INPT, UPS, 118 Route de Narbonne, 31062 Toulouse Cedex 9, France.

Phys Chem Chem Phys ; 18(37): 26166-26176, 2016 Sep 21.

Article em En | MEDLINE | ID: mdl-27711663

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Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article

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Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article