文摘
Calculations clearly reveal that the anisotropic orbital overlap between Ir and O gives rise to a spin-orbit induced k-dependent Jeff band splitting of the Ir t2g bands. The calculated transport properties reveal a temperature insensitive variation of materials electrical conductivity implying semi-metallic nature of SrIrO3. The electron-hole asymmetry in SrIrO3 is a due to consequence of SOC, by which the bands are split into Jeff states, thereby significantly reducing the density of states at Fermi energy.