Unpaired spin populations and spin-pairing tendencies of the nonequivalent vanadium sites of the magnetic metal NaV6O11 investigated by electronic band structure calculations and spin dimer analysis
Langue
en
Article de revue
Ce document a été publié dans
Chemistry of Materials. 2005, vol. 17 (17), p. 4344-4349
American Chemical Society
Résumé en anglais
The unpaired spin populations and spin-pairing tendencies of the three different vanadium atoms of NaV6O11 above and below its trimerization temperature Tt = 245 K were examined by determining, as a function of the number ...Lire la suite >
Mots clés en anglais
Band structure
Electron spin
Exchange interaction
Magnetism
Oxidation
Spin polarization
Total energy
Sodium vanadate
NaV6O11
Strontium vanadium oxide
SrV6O11
Lead vanadium oxide
PbV6O11