The Structural, Electronic and Elastic Properties, and the Raman Spectra of Orthorhombic CaSnO_(3) through First Principles Calculations

First principles calculations based on the density functional theory of the electronic structure,elastic and lattice vibrational properties of orthorhombic CaSnO_(3) are carried out using standard functional approximation and density functional perturbation theory.The results show that CaSnO_(3) is an insulator with an indirect local density approximation and generalized gradient approximation gap of 3.10(2.69)eV.In addition,the Raman vibration modes of CaSnO_(3) are determined by the calculated phonon frequencies at the gamma point,where the prominent peaks of the Raman spectra of CaSnO_(3) coinciding with the calculated frequencies can be assigned.