Orbital molecules in vanadium oxide spinels
نویسندگان
چکیده
منابع مشابه
Orbital ordering and structural distortions in vanadium spinels
Materials with the spinel crystal structure exhibit a diverse range of ground states and properties. These result from the interplay of spin, charge and orbital degrees of freedom over the geometrically frustrated pyrochlore sublattice. In certain spinels the interaction of ordered orbitals induces a structural distortion, due to the formation of clusters of directly bonded atoms called orbital...
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This research has been carried out to study and find a rather general description for a lone pairorbital in molecules. Since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; theFSGO method including optimization has been used to obtain orbital parameters and energy. Theproposed models for...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2020
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.101.024112