Structural and electronic properties of the martensitic alloys TiNi, TiPd, and TiPt
- Center of Analysis and Testing, Wuhan University, Wuhan (China)
- Physics Department, Hong Kong University of Science and Technology, Clear Water Bay (Hong Kong)
- Ames Laboratory--USDOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)
The electronic and structural properties for TiNi, TiPd, and TiPt are studied using first-principles total energy calculations. For each alloy, the structural parameters for a few structural phases are found from energy and force calculations. In each case, we found that the ground state martensitic phase (B19/B19{sup {prime}}) is indeed lower in energy than the high temperature B2 phase. In all three alloys, the lowering in energy of the B19/B19{sup {prime}} structure is associated with the electronic properties such as lowering of the density of states at the Fermi level at the Ti site, and the broadening of the transition-metal d bands in the B19/B19{sup {prime}} phase compared with the B2 phase. {copyright} {ital 1997} {ital The American Physical Society}
- OSTI ID:
- 538531
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 7 Vol. 56; ISSN 0163-1829; ISSN PRBMDO
- Country of Publication:
- United States
- Language:
- English
Similar Records
A comparative first-principles study of martensitic phase transformations in TiPd2 and TiPd
In-situ investigations of the martensitic transformation in TiNi by synchrotron radiation