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Lattice dynamics of KNi2Se2

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arxiv 1609.05547 v1 pith:JIILF6WN submitted 2016-09-18 cond-mat.supr-con cond-mat.str-el

Lattice dynamics of KNi2Se2

classification cond-mat.supr-con cond-mat.str-el
keywords dynamicslatticeramanactiveagreementanalysiscalculatedcalculations
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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.

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