Optical phonons in theNaTiSi2O6oxide withS=12spin chains

2005

. The infrared-active phonon frequencies are obtained by Kramers-Kronig analy-sis of the reflectivity data. The assignment of the observed modes is done using lattice dynamical calculationsbased on the valence shell model. A phase transition at about 210 K is manifested through a dramatic changeof the mode frequency and broadening, and the appearance of new phonon modes. Analyzing the phononfrequency and damping vs temperature we have found that the phase transition leaves a fingerprint in thephonon dynamics of NaTiSi