Theoretical study of ternary silver fluorides AgMF<sub>4</sub> (M = Cu, Ni, Co) formation at pressures up to 20 GPa
Mateusz A. Domański, Mariana Derzsi, Wojciech Grochala
Abstract
Only several compounds bearing the Ag(<sc>ii</sc>) cation and other paramagnetic transition metal cations are known experimentally. Here, we predict as yet unknown AgMF<sub>4</sub> phases and their stability in function of pressure.
Topics & Concepts
Ternary operationDiamagnetismStoichiometryParamagnetismCobaltAmbient pressureMaterials scienceDensity functional theoryDopingMetalNickelCrystallographyTransition metalInorganic chemistryPhysical chemistryBand gapCrystal structureChemistryChemical physicsRange (aeronautics)Binary numberElectronic structureCrystal (programming language)Structural stabilityTernary compoundThermodynamicsHigh pressureSingle crystalChemical stabilityInorganic Fluorides and Related CompoundsHigh-pressure geophysics and materialsHeusler alloys: electronic and magnetic properties