Title of article
Ab initio calculation of Ni50−xFexTi50 Original Research Article
Author/Authors
D. G?ra، نويسنده , , K. Parlinski، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
7
From page
1748
To page
1754
Abstract
The structure, lattice dynamics and electronic band structure of Ni43.75Fe6.25Ti50 were obtained using ab initio calculations. The phonon dispersion relations and phonon density of states were calculated using the direct method. The stability of Ni50−xFexTi50 structure for x=0.0, 6.25, 12.5, 25 has been investigated and shown that the orthorhombic structure is the most stable phase for x=25.
Keywords
C. Ab initio calculation , D. Phonons , D. Electronic structure
Journal title
Journal of Physics and Chemistry of Solids
Serial Year
2005
Journal title
Journal of Physics and Chemistry of Solids
Record number
1309116
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