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
Idioma
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Article de revue
Este ítem está publicado en
Chemistry of Materials. 2005, vol. 17 (17), p. 4344-4349
American Chemical Society
Resumen en inglés
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 ...Leer más >
Palabras clave en inglés
Band structure
Electron spin
Exchange interaction
Magnetism
Oxidation
Spin polarization
Total energy
Sodium vanadate
NaV6O11
Strontium vanadium oxide
SrV6O11
Lead vanadium oxide
PbV6O11