Anomalous thermal expansion in $α$-titanium

Details Anomalous thermal expansion in $α$-titanium Anomalous thermal expansion in $α$-titanium

2007-07-15

arxiv.org/abs/0707.2214v1

Phys. Rev. Lett. 99, 015901 (2007)

Physics

Condensed Matter

Materials Science

article, 4 pages, 3 figures

Scientific paper

10.1103/PhysRevLett.99.015901

We provide a complete quantitative explanation for the anisotropic thermal expansion of hcp Ti at low temperature. The observed negative thermal expansion along the c-axis is reproduced theoretically by means of a parameter free theory which involves both the electron and phonon contributions to the free energy. The thermal expansion of titanium is calculated and found to be negative along the c-axis for temperatures below $\sim$ 170 K, in good agreement with observations. We have identified a saddle-point Van Hove singularity near the Fermi level as the main reason for the anisotropic thermal expansion in $\alpha-$titanium.

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