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3 papers · 2 filters
Large orbital moment and spin-orbit enabled Mott transition in the Ising Fe honeycomb lattice BaFe2(PO4)2
Young-Joon Song, K. -W. Lee, W. E. Pickett
BaFe2(PO4)2 is an unusual Ising insulating ferromagnet based on the Fe spin = 2 ion, the susceptibility of which suggests a large orbital component to the Fe local momen…
Organometallic-like localization of 4d-derived spins in an inorganic conducting niobium suboxide
Kwan-Woo Lee, Warren E. Pickett
Based on the refined crystal structure comprised of columns of 3*4 planar blocks of NbO6 octahedra and first principles electronic structure methods, we find that orthorhombic (o)-…
Doping-dependent bandwidth renormalization and spin-orbit coupling in (SrLa)RhO
Kyo-Hoon Ahn, Kwan-Woo Lee, Jan Kunes
We investigate the electronic structure of (SrLa)RhO using a combination of the density functional and dynamical mean-field theories. Unlike the earlier local d…