Electron-phonon interactions and the phonon anomaly in [beta]-phase NiTi
Journal Article
·
· Physical Review, B: Condensed Matter; (United States)
- Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50010 (United States)
The electronic structure of [beta]-phase NiTi has been calculated using a first-principles linear-combination-of-atomic-orbitals method. The resulting band structure was fitted with a nonorthogonal tight-binding Hamiltonian from which electron-phonon matrix elements were evaluated. The soft phonon near [ital Q][sub 0]=(2/3, 2) / (3 ,0)[pi]/[ital a], which is responsible for the premartensitic phase transition in [beta]-phase NiTi, is found to arise from the strong electron-phonon coupling of nested electronic states on the Fermi surface. Thermal vibrations and changes in electronic occupation cause a smearing of the nested features, which in turn cause a hardening of the phonon anomaly.
- OSTI ID:
- 6276197
- Journal Information:
- Physical Review, B: Condensed Matter; (United States), Vol. 48:4; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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Miscellaneous
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Wed Jan 01 00:00:00 EST 1992
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OSTI ID:6276197
Theoretical study of electron-phonon interaction in {beta}-phase NiTi and Ni-Al alloys
Thesis/Dissertation
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Thu Sep 17 00:00:00 EDT 1992
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Theoretical study of electron-phonon interaction in [beta]-phase NiTi and Ni-Al alloys
Technical Report
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Thu Sep 17 00:00:00 EDT 1992
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OSTI ID:6276197
Related Subjects
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
NICKEL ALLOYS
ELECTRONIC STRUCTURE
TITANIUM ALLOYS
BAND THEORY
BINARY ALLOY SYSTEMS
ELECTRON-PHONON COUPLING
FERMI LEVEL
PHASE TRANSFORMATIONS
ALLOY SYSTEMS
ALLOYS
COUPLING
ENERGY LEVELS
665430* - Other Topics in Quantum Fluids & Solids- (1992-)
SUPERCONDUCTIVITY AND SUPERFLUIDITY
NICKEL ALLOYS
ELECTRONIC STRUCTURE
TITANIUM ALLOYS
BAND THEORY
BINARY ALLOY SYSTEMS
ELECTRON-PHONON COUPLING
FERMI LEVEL
PHASE TRANSFORMATIONS
ALLOY SYSTEMS
ALLOYS
COUPLING
ENERGY LEVELS
665430* - Other Topics in Quantum Fluids & Solids- (1992-)