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(Color online) Presented are DOS of CaAl3As4. The thick solid lines show the total DOS, the thin solid lines the partial DOS (PDOS) of As, and the dotted and dashed lines for those of Al and Ca.
(Color online) Presented are spin-dependent PDOSs of Ca:AlAs.
(Color online) Presented are spin-dependent PDOSs of Ca:AlAs including SOC.
Equilibrium lattice constants (ELC, in unit of Å), total energy difference between the FM phase and the AFM (NM) one ( and , in unit of meV), magnetic moments (m, in unit of ) of AE:AlAs, half-metallic gap (, in unit of eV), and the majority spin gap (, in unit of eV) are presented. For and , the first value is given by GGA, while the second one is given by mBJ.
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