The half-metallicity of zinc-blende CaC/GaAs(001) heterojunction: A density functional theory study

► Electronic and magnetic properties of CaC/GaAs(001) heterojunction are studied. ► The spin polarization at the Fermi energy reduced at the CaC/GaAs heterojunction. ► The spin-polarized density of states for ZB-CaC/GaAs(001) heterojunction is obtained. ► The CaC/GaAs(001) heterojunction can be used in spintronics applications.