A lattice dynamical investigation of Raman and infrared wavenumbers at the zone center of the orthorhombic NdNiO3 perovskite

A short-range force constant model has been applied for the first time to investigate the phonons in NdNiO3 perovskite in the orthorhombic phase. The calculations with the ten stretching and ten bending force constants provide a good agreement for the observed Raman and infrared wavenumbers. The infrared wavenumbers have been calculated for the first time. All Raman and infrared wavenumbers are assigned to their specific mode of vibrations.