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The simultaneous influence of electronic correlations and magnetic orderingon the theoretical estimation of phonons and related properties of Ni isinvestigated. The work includes a comparative DFT and DFT+U study, whereon-site Coulomb interaction parameter for 3$d$ electrons, $U$($U_{full}$)=0.516 eV obatined from constarined random phase approximation (cRPA)calculations, is considered for DFT+U calculations. The analysis of phononfrequency estimates along high symmetric k-directions and sampled full-BZ(Brillouin zone) using Frozen phonon displacement method suggests theimportance of both on-site Coulomb correlations and magnetism to account forthe experimental frequencies. Further, prominent role of both the aspects isobserved in the derived thermodynamic properties - Free-energy, specific heat\& entropy, within quasi-harmonic approximation (QHA) specially at hightemperatures. The temperature dependent evaluation of thermal expansioncoefficient($\alpha$) and phonon density of states is performed together withthe equilibrium elastic constants. The results obtained for Ni, suggest thesignificance of electronic energy correction due to both on-site Coulombcorrelations and magnetic phase incorporation, to account for realisticdescription of experimental findings. This study realizes the inevitable roleof correlation effects in studying the phononic properties of a correlatedtransition metal, hence directing a way to explore various other correlatedelectron systems for their lattice dynamics.

Lattice dynamics related properties of Nickel: A comparative DFT and DFT+U study