First-principles study on LaYbO3 as the localized f electrons containing system with MBJ–LDA + U approach
Sign Up to like & getrecommendations! Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2016.09.005
Abstract: Abstract The electronic structure of LaYbO 3 was investigated by the full potential linearized augmented plane wave plus local orbital (FLAPW + lo) method with the modified Becke–Johnson potential combined with the local density approximation correlation plus… read more here.
Keywords: localized electrons; system; study laybo3; principles study ... See more keywords
High-Pressure Synthesis and Magnetic States of Magnetoplumbite Cobaltates CaCo12O19 and BaCo12O19.
Sign Up to like & getrecommendations! Published in 2021 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.0c03726
Abstract: Novel cobalt oxides, CaCo12O19 and BaCo12O19, have been synthesized under high-pressure and high-temperature conditions of 7 GPa and 1373 K, respectively. Rietveld refinement using synchrotron X-ray diffraction data indicates that the CaCo12O19 and BaCo12O19 crystallize… read more here.
Keywords: localized electrons; caco12o19 baco12o19; pressure synthesis; cobalt oxides ... See more keywords
Orbital Ordering of the Mobile and Localized Electrons at Oxygen-Deficient LaAlO3/SrTiO3 Interfaces.
Sign Up to like & getrecommendations! Published in 2018 at "ACS nano"
DOI: 10.1021/acsnano.8b02335
Abstract: Interfacing different transition-metal oxides opens a route to functionalizing their rich interplay of electron, spin, orbital, and lattice degrees of freedom for electronic and spintronic devices. Electronic and magnetic properties of SrTiO3-based interfaces hosting a… read more here.
Keywords: laalo3; deficient laalo3; localized electrons; oxygen deficient ... See more keywords
Cluster Magnetism of Ba4NbMn3O12: Localized Electrons or Molecular Orbitals?
Sign Up to like & getrecommendations! Published in 2018 at "JETP Letters"
DOI: 10.1134/s0021364018220071
Abstract: Recently synthesized Ba4NbMn3O12 belong to cluster magnets that are systems with tightly bound groups of magnetic ions, in this case Mn3 trimers. Such magnetic clusters can often be described by molecular orbitals, however strong electron… read more here.
Keywords: molecular orbitals; ba4nbmn3o12 localized; localized electrons; magnetism ba4nbmn3o12 ... See more keywords