We have investigated the structural, elastic, electronic, optical and
thermal properties of an insulator perovskite CsCdF3 using the
pseudo-potential plane wave (PP-PW) scheme in the frame of generalized gradient
approximation (GGA) and local density approximation (LDA). The computed lattice
parameter and bulk modulus agree reasonably with experimental and previous
theoretical works. We find that the cubic Pm-3m crystal symmetry persists
throughout the pressure range studied. The anisotropy in CsCdF3 crystal is
strong, while, by analyzing the ratio between the bulk and shear moduli, we
conclude that CsCdF3 is ductile material. The calculations reveal that
CsCdF3 is an indirect-gap insulator under ambient conditions, with the gap
increasing under pressure. Also, we present the results of the densities of
states and charge densities. The static dielectric constant and static
refractive index are proportional to the fundamental indirect band gap
Γ-R. The thermal effect on the volume, bulk modulus, heat capacities CV and
CP and Debye temperature was predicted using the quasi-harmonic Debye
model. To the author's knowledge, most of the studied properties are
reported for the first time
