The local structure, electronic and optical properties of Pb(Mg${}_{1/3}$Nb${}_{2/3}$)O${}_3$-PbTiO${}_3$: first-principles study

M. Kovalenko, O. Bovgyra, V. Kapustianyk +1

Pb(Mg${}_{1/3}$Nb${}_{2/3}$)O${}_3$-PbTiO${}_3$ perovskite-based crystals attract considerable scientific interest due to their interesting properties and possible use in piezoelectricity…