In transition metal compounds of edge-sharing square planarMX4units (M=group 10, group 11;X=O, S, Se), a square planar to rectangular distortion is observed. The causes for this distortion inMX2ladder chains,M3X4honeycomb layers, and 3DMXlattices were examined by performing extended Hückel tight binding electronic band structure calculations. The primary cause for the distortion is the reduction of the four-electron two-orbital destabilizing interactions among thep-orbitals ofX.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry