Regensburg 2016 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 71: 2D Materials beyond Graphene -Dynamics and Excitation
(Joint session of DS, DY, HL, MA, O and TT organized by O)
TT 71.9: Vortrag
Donnerstag, 10. März 2016, 12:45–13:00, S054
Investigations on the Phonon Spectrum of TiSe2 in the CDW Phase — •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 report recent results of our investigations on the Charge Density Wave (CDW) phase transition in TiSe2, performed both experimentally by means of high resolution Inelastic X-ray Scattering (IXS) as well as theoretically by Density Functional Theory (DFT) based ab-initio phonon calculations [1].
We extended our calculations to the case of Cu-doping where we found a huge hardening of the CDW-related soft phonon due to strong chemical bonding of the Cu atoms to the TiSe2 host lattice. Moreover, we investigated the phonon spectrum of TiSe2 in the CDW phase where we find the expected stabilisation of the lattice. Nevertheless, we still obtain here a sizeable electron-phonon coupling for the phonons which derive from the soft phonons of the normal (CDW-undistorted) phase.
[1] F. Weber, S. Rosenkranz, J.-P. Castellan, R. Osborn,
G. Karapetrov, R. Hott, R. Heid, K.-P. Bohnen, A. Alatas,
PRL 107, 266401 (2011)