New ferromagnetic semiconductor double perovskites: La2FeMO6 (M= Co, Rh, and Ir)

Enhanced CO catalytic oxidation by Sr reconstruction on the surface of La x Sr 1− x CoO 3− δ

“…The density of states (DOS) for each perovskite was calculated by using the tetrahedron method with Blochl corrections [34]. Considering the effects of inducing the exchange correlation correction, the value of U was obtained according to the results calculated by Fuh et al [35], 5 eV for Co. The structure of SrCoO 3Àd surface and SrCoO 3Àd surface with defects were described by constructing slab models using a 2 Â 2 Â 8 super cell with a 2 Â 2 Â 4 additional vacuum (empty) unit cells.…”

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“…It is a time-consuming task to calculate the 406 29 2 C combinations, and when searching for magnetic properties, we first used VASP code to calculate the self-consistent electronic structure of all 406 La 2 BB'O 6 compounds. Fuh et al [15] have mentioned that the states of FM-semiconductor states in the BB' pairs of Fe (Co, Rh, Ir) are stable against antiferromagnetism and hence we do not consider them any further.…”

Structural Characterization and Physical Properties of Double Perovskite La2FeReO6+δ Powders

“…In recent years, magnetic semiconductors or insulators have also attracted great attention due to their possible applications in spintronic devices [36]. To find the new FM semiconductors with high T C from DP oxides, the physical properties of the La 2 B B"O 6 (B B" pairs = any pair taken from the 29 transition metal elements except La) DP oxides are theoretically calculated [37]. The results show that the ordered La 2 FeB"O 6 (B" = Co, Rh, and Ir) DP oxides are FM semiconductor materials.…”