The ferromagnetic and anti-ferromagnetic phases (cubic, tetragonal, orthorhombic) of KMnF3. A quantum mechanical investigation-Reference-Cited by-同舟云学术

The ferromagnetic and anti-ferromagnetic phases (cubic, tetragonal, orthorhombic) of KMnF3. A quantum mechanical investigation

Author:

Pascale Fabien¹^ORCID,D’Arco Philippe²^ORCID,Dovesi Roberto³^ORCID

Affiliation:

1. Université de Lorraine – Nancy, CNRS, Laboratoire de Physique et Chimie Théoriques, UMR 7019, Vandoeuvre-les-Nancy, France

2. Sorbonne Université, CNRS-INSU, Institut des Sciences de la Terre, ISTeP UMR 7193, F-75005 Paris, France

3. Dipartimento di Chimica, Università di Torino and NIS (Nanostructured Interfaces and Surfaces) Centre, Via P. Giuria 5, 10125 Torino, Italy

Abstract

The relative stability of 3 FM/AFM groups of KMnF3 perovskites is computed and the superexchange mechanism is illustrated.

Funder

Grand Équipement National De Calcul Intensif

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference28 articles.

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