English

Dimensionality driven charge density wave instability in TiS$_2$

Mesoscale and Nanoscale Physics 2013-10-08 v1 Materials Science

Abstract

Density functional theory and density functional perturbation theory are used to investigate the electronic and vibrational properties of TiS2_2. Within the local density approximation the material is a semi-metal both in the bulk and in the monolayer form. Most interestingly we observe a Kohn anomaly in the bulk phonon dispersion, which turns into a charge density wave instability when TiS2_2 is thinned to less than four monolayers. Such charge density wave phase can be tuned by compressive strain, which appears to be the control parameter of the instability.

Keywords

Cite

@article{arxiv.1310.1866,
  title  = {Dimensionality driven charge density wave instability in TiS$_2$},
  author = {Kapildeb Dolui and Stefano Sanvito},
  journal= {arXiv preprint arXiv:1310.1866},
  year   = {2013}
}
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