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- W1668759787 abstract "Using the first-principles density functional approach, we investigate Ca$_2$FeOsO$_6$, a material of double perovskite structure synthesized recently. According to the calculations, Ca$_2$FeOsO$_6$ is a ferrimagnetic Mott-insulator influenced by the cooperative effect of spin-orbit coupling (SOC) and Coulomb interactions of Fe-3$d$ and Os-5$d$ electrons, as well as the crystal field. When Fe is replaced with Ni, the system exhibits half metallic (HM) states desirable for spintronic applications. In [Ca$_2$Fe$_{1-x}$Ni$_x$OsO$_6$]$_2$, HM ferrimagnetism is observed with $mu_{rm tot}=2mu_{rm B}$ per unit cell for doping rate $x=0.5$, whereas HM antiferromagnetism (HMAFM) with nearly zero spin magnetization in the unit cell for $x=1$, respectively. It is emphasized that half metallicity is retained even with SOC effect due to the large exchange-splitting between spin-up and spin-down bands close to the Fermi level." @default.
- W1668759787 created "2016-06-24" @default.
- W1668759787 creator A5052987868 @default.
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- W1668759787 date "2014-08-08" @default.
- W1668759787 modified "2023-09-27" @default.
- W1668759787 title "Half Metal Transition Driven by Doping Eects in Osmium Double Perovskite" @default.
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