A series of oxysulfides RE<sub>2</sub>M<sub>2</sub>S<sub>3</sub>O<sub>4</sub>(RE = Y, Tm; M = Zr, Hf) featuring a unique MS<sub>3</sub>O<sub>4</sub>motif and {[M<sub>2</sub>S<sub>3</sub>O<sub>4</sub>]<sup>8−</sup>}<sub>∞</sub>wrinkle layer
Zhen‐Tao Lu, Sihan Yang, Wenlong Liu, Sheng‐Ping Guo
Abstract
wrinkle layer. Their optical band gaps are determined and 3 shows antiferromagnetic-like behavior. Theoretical calculations suggest their direct band gaps and the electron transfer between the frontier orbitals mainly occurred from S-3p and O-2p, to Y-4d and Zr-4d/Hf-5d orbitals.
Topics & Concepts
CrystallographyMaterials scienceChemistryCrystal Structures and PropertiesInorganic Chemistry and MaterialsIron-based superconductors research