Halevy, I. and Salhov, S. and Yue, A. F. and Hu, J. and Yaar, I. (2004) High Pressure Study of HfNi Crystallographic and Electronic Structure. Hyperfine Interactions, 159 (1-4). pp. 357-362. ISSN 0304-3843. doi:10.1007/s10751-005-9119-y. https://resolver.caltech.edu/CaltechAUTHORS:20190823-105107081
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Abstract
The crystallographic structure and electronic properties of HfNi were studied as a function of pressure by combining X-ray diffraction results with the full potential linearized augmented plane wave (LAPW) calculations. No phase transition was observed up to a pressure of 35.3 GPa, with a total volume contraction of V/V_0 = 0.85, a bulk modulus value of B_0 = 52 ± 3 GPa and B_0 ′ = 1.29 ± 0.26. The calculated linear increase in the V_(zz) value as a function of the pressure induced volume reduction at the hafnium site was attributed mainly to the p–p contribution, while in the nickel site, a non negligible d–d contribution to V_(zz) is also observed, and attributed to the high 3d-partial DOS near the nickel nucleus. Based on the total electronic DOS at E_(Fermi) calculated for 0 K (N(E^0_(Fermi))), a value of 6.85 and 5.03 (mJ/mol/k^2) was calculated for the band contribution (γ_(band)) to the electronic specific heat coefficient (γ) at a pressure of 0 and 35.3 GPa, respectively.
| Item Type: | Article | |||||||||
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| Additional Information: | © Springer Science+Business Media, Inc. 2005. | |||||||||
| Subject Keywords: | bulk modulus; DOS; high pressure; LAPW; specific heat | |||||||||
| Issue or Number: | 1-4 | |||||||||
| DOI: | 10.1007/s10751-005-9119-y | |||||||||
| Record Number: | CaltechAUTHORS:20190823-105107081 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20190823-105107081 | |||||||||
| Official Citation: | Halevy, I., Salhov, S., Yue, A.F. et al. Hyperfine Interact (2004) 159: 357. https://doi.org/10.1007/s10751-005-9119-y | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 98164 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | George Porter | |||||||||
| Deposited On: | 23 Aug 2019 19:54 | |||||||||
| Last Modified: | 16 Nov 2021 17:37 |
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