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Using the first-principles density functional approach, we investigateCa$_2$FeOsO$_6$, a material of double perovskite structure synthesizedrecently. According to the calculations, Ca$_2$FeOsO$_6$ is a ferrimagneticMott-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 thecrystal 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$\mu_{\rm tot}=2\mu_{\rm B}$ per unit cell for doping rate $x=0.5$, whereas HMantiferromagnetism (HMAFM) with nearly zero spin magnetization in the unit cellfor $x=1$, respectively. It is emphasized that half metallicity is retainedeven with SOC effect due to the large exchange-splitting between spin-up andspin-down bands close to the Fermi level.

Half Metal Transition Driven by Doping Effects in Osmium Double Perovskite