Influence of La doping on elastic and thermodynamic properties of SrMoO3

The elastic and thermodynamic properties for Sr1−xLaxMoO3 (x = 0.0, 0.05, 0.1, 0.15, and 0.2) with temperature have been investigated, probably for the first time, by using modified rigid ion model (MRIM). The computed results on the elastic constants (C11, C12, and C44) are the first report on them. Using these elastic constants we have computed other elastic properties such as B, β, G′, G, E, σ, B/G ratio, Cauchy pressure (C12 − C44) and Lame's parameters (μ, λ). We have also reported the thermodynamic properties such as ϕ, f, θD, θD1, υ0, υ1, γ, and α. The values of Young's modulus, shear modulus and compressibility for SrMoO3 are in good agreement with the available experimental data. The concentration (x) dependence of θD in Sr1−xLaxMoO3 suggests that increased La doping drives the system effectively away from the strong electron–phonon coupling regime. Specific heat is reported in the wide temperature range and compared with the respective experimental data available in the literature. The thermal expansion coefficient of SrMoO3 is in good agreement with the other theoretical data.

► We modelled Sr1−xLaxMoO3 (x = 0.0, 0.05, 0.1, 0.15, and 0.2) using modified rigid ion model (MRIM).
► We computed the elastic and thermodynamic properties with temperature.
► The increased La doping drives the system effectively far from the strong electron–phonon coupling regime.
► This model reproduced elastic and thermodynamic properties well with the experimental data.