The relationship between covalent bonds and the optical response in a nonpolar family ATeMoO6 (A=Mg, Zn, Cd): A Berry-phase investigation

Macroscopic polarization and optical properties were investigated using the Berry-phase calculation. Microscopic origin of optical response is investigated by variation of atomic charge, Born effective charges, and chemical bond analyses. Covalent bonds play an important role in determining optical response.211