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Title: Thermoelasticity and anomalies in the pressure dependence of phonon velocities in niobium

Abstract

Compressional and shear wave velocities of polycrystalline niobium have been measured at simultaneously high pressures and temperatures up to 5.8 GPa and 1073 K, respectively, using ultrasonic interferometry in conjunction with synchrotron x-ray techniques. An anomalous pressure-induced softening behavior in the phonon velocities, probably owing to the topological change in the Fermi surface, has been observed at ~4.8 GPa during cold compression, which is supported by the elasticity data from our first-principles calculations. In contrast, both the bulk (BS) and shear (G) moduli increase with pressures but decrease with temperatures upon compression at extreme P-T up to 5.8 GPa and 1073 K. Using finite strain equation-of-state approaches, the elasticity of bulk and shear moduli and their pressure and temperature dependences are derived from the directly measured velocities and densities, yielding B S0= 174.9(3.2) GPa, G0 = 37.1(3) GPa, ∂B S/∂P = 3.97(9), ∂G/∂P = 0.83(5), ∂B S/∂T = -0.064(7) GPa/K, and ∂G/∂T = 0.012(3) GPa/K. On the basis of the current thermoelasticity data, Debye temperature and the high-pressure melting curve of Nb are derived. The origin of the anomalies in shear behavior at high pressure might be attributed to the progressive s-d electron-transfer-induced topological changes of the Fermi surface uponmore » compression.« less

Authors:
ORCiD logo [1];  [2];  [2];  [3];  [4];  [2]
  1. State Univ. of New York (SUNY), Stony Brook, NY (United States); Southern Univ. of Science and Technology, Shenzhen (China)
  2. State Univ. of New York (SUNY), Stony Brook, NY (United States)
  3. State Univ. of New York (SUNY), Stony Brook, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Southern Univ. of Science and Technology, Shenzhen (China)
Publication Date:
Research Org.:
State Univ. of New York (SUNY), Stony Brook, NY (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1505561
Alternate Identifier(s):
OSTI ID: 1415504
Grant/Contract Number:  
NA0002907
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 112; Journal Issue: 1; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Zou, Yongtao, Li, Ying, Chen, Haiyan, Welch, David, Zhao, Yusheng, and Li, Baosheng. Thermoelasticity and anomalies in the pressure dependence of phonon velocities in niobium. United States: N. p., 2018. Web. doi:10.1063/1.5009617.
Zou, Yongtao, Li, Ying, Chen, Haiyan, Welch, David, Zhao, Yusheng, & Li, Baosheng. Thermoelasticity and anomalies in the pressure dependence of phonon velocities in niobium. United States. doi:10.1063/1.5009617.
Zou, Yongtao, Li, Ying, Chen, Haiyan, Welch, David, Zhao, Yusheng, and Li, Baosheng. Wed . "Thermoelasticity and anomalies in the pressure dependence of phonon velocities in niobium". United States. doi:10.1063/1.5009617. https://www.osti.gov/servlets/purl/1505561.
@article{osti_1505561,
title = {Thermoelasticity and anomalies in the pressure dependence of phonon velocities in niobium},
author = {Zou, Yongtao and Li, Ying and Chen, Haiyan and Welch, David and Zhao, Yusheng and Li, Baosheng},
abstractNote = {Compressional and shear wave velocities of polycrystalline niobium have been measured at simultaneously high pressures and temperatures up to 5.8 GPa and 1073 K, respectively, using ultrasonic interferometry in conjunction with synchrotron x-ray techniques. An anomalous pressure-induced softening behavior in the phonon velocities, probably owing to the topological change in the Fermi surface, has been observed at ~4.8 GPa during cold compression, which is supported by the elasticity data from our first-principles calculations. In contrast, both the bulk (BS) and shear (G) moduli increase with pressures but decrease with temperatures upon compression at extreme P-T up to 5.8 GPa and 1073 K. Using finite strain equation-of-state approaches, the elasticity of bulk and shear moduli and their pressure and temperature dependences are derived from the directly measured velocities and densities, yielding BS0= 174.9(3.2) GPa, G0 = 37.1(3) GPa, ∂BS/∂P = 3.97(9), ∂G/∂P = 0.83(5), ∂BS/∂T = -0.064(7) GPa/K, and ∂G/∂T = 0.012(3) GPa/K. On the basis of the current thermoelasticity data, Debye temperature and the high-pressure melting curve of Nb are derived. The origin of the anomalies in shear behavior at high pressure might be attributed to the progressive s-d electron-transfer-induced topological changes of the Fermi surface upon compression.},
doi = {10.1063/1.5009617},
journal = {Applied Physics Letters},
issn = {0003-6951},
number = 1,
volume = 112,
place = {United States},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Figures / Tables:

FIG. 1 FIG. 1: (a) Experimental P-T conditions for the combination of synchrotron x-ray diffraction and ultrasonic measurements on polycrystalline niobium. The solid red circles represent the P-T data points upon cold compression, whereas the crossed-blue circles are ones at high P-T conditions during cooling. (b) The experimental setup for the currentmore » ultrasonic measurements in conjunction with synchrotron x-ray diffraction and x-radiographic imaging at the National Synchrotron Light Source (NSLS). (c) Waveform data for the compressional wave signal (50 MHz) at 5.5 GPa and 873 K, showing the reflections from the WC-anvil, the buffer rod, and the Nb sample.« less

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.