Orthorhombic SrHfO3 (0Â 0Â 1) surfaces: Surface structure and electronic properties with first-principles calculations

► Orthorhombic SrHfO3 (0 0 1) surfaces have been studied by first-principles. ► The weakened covalent surface in the HfO2-terminated slab has been found. ► The weakened ionic surface in the SrO-terminated slab has been found. ► SrO-terminated slab is more stable.