4 research outputs found
Effect of pressure on the electronic structure of hcp Titanium
The effect of pressure on the hexagonal close-packed structure of titanium is
investigated. The lattice parameters of the equilibrium structure were
determined in terms of the Gibbs free energy using the Epitaxial Bain Path
method. When this process was repeated for several pressures, the effect of
pressure on the lattice parameters was revealed. The calculated lattice
parameters were in good agreement with the experimental and theoretical
results. The effects of pressure on parameters depending on the electronic
structure such as conductivity and resistivity in the ground state were also
investigated up to 30 GPa using density functional theory.Comment: 7 pages, 7 figure