First-principle study of half-metallicity at the TiPo (001) surface and the TiPo/CdTe (001) interface

► The bulk half-metallicity of TiPo with zinc-blende structure ► The surface stability of zinc-blende TiPo (001) surface ► The half-metallicity is preserved at the Ti (Po)-terminated (001) surfaces. ► The interfacial adhesive strength