文摘
Pristine 1T-ZrS2 is a semiconductor with indirect gaps of 1.106eV. Magnetism can be observed for V, Cr, Mn, Fe, Co, and Cu doped system. Strong p–d hybridization was found between TM 3d orbitals and S 3p orbitals. V-doped ZrS2 has relatively wide half-metallic gap (0.450eV).