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Title: Electron-phonon interactions and the phonon anomaly in [beta]-phase NiTi

Abstract

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.

Authors:
;  [1]
  1. Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50010 (United States)
Publication Date:
OSTI Identifier:
6276197
Resource Type:
Journal Article
Journal Name:
Physical Review, B: Condensed Matter; (United States)
Additional Journal Information:
Journal Volume: 48:4; Journal ID: ISSN 0163-1829
Country of Publication:
United States
Language:
English
Subject:
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-)

Citation Formats

Zhao, G L, and Harmon, B N. Electron-phonon interactions and the phonon anomaly in [beta]-phase NiTi. United States: N. p., 1993. Web. doi:10.1103/PhysRevB.48.2031.
Zhao, G L, & Harmon, B N. Electron-phonon interactions and the phonon anomaly in [beta]-phase NiTi. United States. https://doi.org/10.1103/PhysRevB.48.2031
Zhao, G L, and Harmon, B N. 1993. "Electron-phonon interactions and the phonon anomaly in [beta]-phase NiTi". United States. https://doi.org/10.1103/PhysRevB.48.2031.
@article{osti_6276197,
title = {Electron-phonon interactions and the phonon anomaly in [beta]-phase NiTi},
author = {Zhao, G L and Harmon, B N},
abstractNote = {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.},
doi = {10.1103/PhysRevB.48.2031},
url = {https://www.osti.gov/biblio/6276197}, journal = {Physical Review, B: Condensed Matter; (United States)},
issn = {0163-1829},
number = ,
volume = 48:4,
place = {United States},
year = {Thu Jul 15 00:00:00 EDT 1993},
month = {Thu Jul 15 00:00:00 EDT 1993}
}