Author/Authors :
Jafari، M نويسنده Physics Department, K. N. Toosi University of Technology, P.O.Box:16315-1618, Tehran, Iran , , Jamnezhad، H نويسنده Physics Department, K. N. Toosi University of Technology, P.O.Box:16315-1618, Tehran, Iran , , Nazarzadeh، L نويسنده Physics Department, K. N. Toosi University of Technology, P.O.Box:16315-1618, Tehran, Iran ,
Abstract :
In the present work, the electronic properties of titanium were studied in three phases of ?, B and ? using the
Density Function Theory (DFT). The full potential augmented plane wave plus local orbital (FLAPW+lo) method
was applied using the generalized gradient approximation. The calculated total energies showed that omega phase
was more stable than the two other phases. The largest electrical conductance was related to the B phase. These
results were in good agreement with the findings of the previous works. In addition, these results showed that an
increase in volume would lead to a decrease in energy; thus, causing an increase in the electrical conduction.
