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This study presents the first-principles phonon calculations to understandthe experimental thermal expansion ($\alpha(T)$) and lattice thermalconductivity ($\kappa_{L}$) of CoSi at high temperature region. Phonondispersion is computed using finite displacement method and supercell approachby taking the equilibrium crystal structures obtained from DFT. The calculationof $\alpha(T)$ is done under quasi-harmonic approximation. The $\kappa_{L}$ iscalculated using first-principle anharmonic lattice dynamics calculations undersingle-mode relaxation time approximation. Calculated $\alpha(T)$ in thetemperature range $0-1300$ K gives the good match with existing experimentaldata. The calculated value of $\kappa_{L}$ ($\sim$8.0 W/m-K) at 300 K is foundto be in good agreement with the experimental value of $\sim$8.3 W/m-K. Thetemperature dependent of phonon lifetime due to phonon-phonon interaction iscalculated to understand the behaviour of $\kappa_{L}$. Present study suggeststhat ground state phonon dispersion obtained from DFT based methods givesreasonably good explanation of experimental $\alpha(T)$ and $\kappa_{L}$.

First-principles phonon calculations for lattice dynamics, thermal expansion and lattice thermal conductivity of CoSi at high temperature region