The ferromagnetic and anti-ferromagnetic phases (cubic, tetragonal, orthorhombic) of KMnF<sub>3</sub>. A quantum mechanical investigation
Fabien Pascale, Philippe D’Arco, Roberto Dovesi
Abstract
. The effect of pressure is also explored in the 0-20 GPa interval. The stability order (O > T > C) at 0 GPa persists also at high pressure, and the differences between the phases increase.
Topics & Concepts
AntiferromagnetismFerromagnetismOrthorhombic crystal systemTetragonal crystal systemCondensed matter physicsPerovskite (structure)ChemistryMulliken population analysisCubic crystal systemPopulationCrystallographyMaterials scienceCrystal structureDensity functional theoryComputational chemistryPhysicsDemographySociologyInorganic Fluorides and Related CompoundsHeusler alloys: electronic and magnetic propertiesInorganic Chemistry and Materials