Bocharov, D.; Žguns, P.; Piskunov, S.; Kuzmin, A.; Purans, J.
(Физика низких температур, 2016)
The ground state properties of cubic scandium trifluoride (ScF₃) perovskite were studied using first-principles calculations. The electronic structure of ScF₃ was determined by linear combination of atomic orbital (LCAO) ...