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TT: Fachverband Tiefe Temperaturen

TT 33: Low-Dimensional Systems: Other Materials

TT 33.7: Vortrag

Dienstag, 17. März 2015, 11:15–11:30, H 3010

Effect of Cu Doping on the Phonon Softening in TiSe₂ — •Roland Hott, Rolf Heid, and Frank Weber — Karlsruhe Institute of Technology, Institute of Solid State Physics, P.O.B. 3640, D-76021 Karlsruhe, Germany

We investigated the effect of Cu doping on the soft-mode behaviour of phonons in the Charge Density Wave (CDW) system TiSe₂ both experimentally by means of high resolution Inelastic X-ray Scattering (IXS) and theoretically in Density Functional Theory (DFT) based ab-initio phonon calculations. Within this theoretical framework the experimentally observed hardening of the soft phonons can not be explained in terms of a simple charge doping effect but it is due to a substantial change of the ionic displacement forces due to the additional Cu ion potentials.

[1] F. Weber et al., Phys. Rev. Lett. 107 (2011) 266401.