Spin dimer and electronic band structure analyses of the ferromagnetism versus antiferromagnetism in SeCuO3 and TeCuO3
Langue
en
Article de revue
Ce document a été publié dans
Chemistry of Materials. 2005, vol. vol. 17, n° 17, p. p. 4350-4355
American Chemical Society
Résumé en anglais
On the basis of spin dimer analysis and density functional theory electronic band structure calculations, we examined why the magnetic ground state of SeCuO3 is ferromagnetic while that of its isostructural analogue TeCuO3 ...Lire la suite >
Mots clés en anglais
Density functional theory
Exchange interactions
Magnetic structures
Ferromagnetism
Inorganic compounds
SeCuO3
TeCuO3
Spin dimers
Antiferromagnetism