Anomalous Thermal Expansion in α-Titanium
2007 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 99, no 1, 015901- p.Article in journal (Refereed) Published
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 ∼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 α-titanium.
Place, publisher, year, edition, pages
2007. Vol. 99, no 1, 015901- p.
Thermal expansion; thermomechanical effects, Phonon states and bands, normal modes, and phonon dispersion, Transition metals and alloys
IdentifiersURN: urn:nbn:se:uu:diva-96176DOI: 10.1103/PhysRevLett.99.015901ISI: 000247819900024OAI: oai:DiVA.org:uu-96176DiVA: diva2:170662