Investigation of ordered dispersive effect, charge density, thermal properties and disappearance of spin polarization in perovskite CsBeO3 under the influence of pressure-A DFT perspective
Full Potential Linearized Augmented Plane Wave method (FP-LAPW) was employed to investigate the behavior of cubic perovskite CsBeO3 under the influence of pressure.The spin polarized study has been carried out in PBE-GGA approximation under the application of pressure.The variation of pressure is attained by the appropriate reduction of volume for