Lattice dynamics of KNi2Se2

Abstract

We report the first principle calculations of the lattice dynamics of KNi$_{2}$Se$_2$ together with the Raman scattering study.\ We have observed three out of four Raman active modes predicted by the factor group analysis. Calculated phonon frequencies are in good agreement with experimental findings.\ Contrary to its iron counterpart (K$_x$Fe$_{2-y}$Se$_2$), K$_{0.95}$Ni$_{1.86}$Se$_2$ does not show vacancy ordering.