ELECTRONIC STRUCTURE OF CHALCOGENIDE COMPOUNDS

Empirical linear combination of atomic orbitals (LCAO) calculations are performed to investigate the electronic structure of Sb₂Se₃, Sb₂Te₃, In₂Se₃ and In₂Te₃. The bands of bonding p states are overlapped with the bands of lone pair states in these materials. The absorption edges of these materials correspond to indirect gap, and the calculation agrees with experimental values.