Effects of vacancy defects on vibrational properties of Ni–Al
The phonon spectra of Ni, Al, and NiAl, as well as their electronic characteristics, are investigated using density functional theory and density functional perturbation theory. Our research on phonon dispersion has concentrated on every high symmetry point of NiAl, both with and without defects. Th...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-10-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0171276 |