On the properties of the 1s-forms of TaSe2 and TaS2

The 1s-forms of TaSe₂ and TaS₂ with octahedral coordination of the metal are diamagnetic; 1s-TaS₂ is a semiconductor at low temperature. The diamagnetism is explained by taking account of spin-orbit coupling which leads to a ground state with zero magnetic moment (g = 0). This spin-orbit coupling stabilizes the d¹ configuration of the metal with respect to d² + d⁰. Thus, it can be understood that 1s−TaS₂ is semiconducting, while isostructural VSe₂ is metallic. Similarly, BaTaS₂ and BaTaSe₃ are semiconductors, but BaVS₃ is metallic.