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Title: High-pressure behavior and thermoelastic properties of niobium studied by in situ x-ray diffraction

Abstract

In this study, in situ synchrotron energy dispersive x-ray diffraction (XRD) experiments on Nb have been conducted at pressures up to 6.4 GPa and temperatures up to 1073 K. From the pressure-volume-temperature measurements, thermoelastic parameters were derived for the first time for Nb based on the thermal pressure (ΔP th) equation of state (EOS), modified high-T Birch-Murnaghan EOS, and Mie-Grüneisen-Debye EOS. With the pressure derivative of the bulk modulus K'T fixed at 4.0, we obtained the ambient isothermal bulk modulus K T0 = 174(5) GPa, the temperature derivative of bulk modulus at constant pressure (∂K T/∂T) P=-0.060(8) GPa K -1 and at constant volume (∂K T/∂T) V=-0.046(8) GPa K -1, the volumetric thermal expansivity α T(T)=2.3(3)×10 -5+0.3(2)×10 -8T (K -1), as well as the pressure dependence of thermal expansion (∂α/∂P) T=(-2.0±0.4)×10 -6 K -1 GPa -1. Fitting the present data to the Mie-Grüneisen-Debye EOS with Debye temperature Θ 0 = 276.6 K gives γ 0 = 1.27(8) and K T0 = 171(3) GPa at a fixed value of q = 3.0. The ambient isothermal bulk modulus and Grüneisen parameter derived from this work are comparable to previously reported values from both experimental and theoretical studies. Finally, an in situ high-resolution,more » angle dispersive XRD study on Nb did not indicate any anomalous behavior related to pressure-induced electronic topological transitions at ~5 GPa as has been reported previously.« less

Authors:
 [1];  [2];  [3];  [3];  [4];  [5];  [1]
  1. State University of New York, Stony Brook, NY (United States). Mineral Physics Institute
  2. State University of New York, Stony Brook, NY (United States). Department of Materials Science and Engineering
  3. State University of New York, Stony Brook, NY (United States). Department of Geosciences
  4. State University of New York, Stony Brook, NY (United States). Mineral Physics Institute; Jilin Normal University, Siping (China). Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education
  5. State University of New York, Stony Brook, NY (United States). Department of Materials Science and Engineering; Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Department
Publication Date:
Research Org.:
Stony Brook Univ., NY (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1466786
Grant/Contract Number:  
NA0001815
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 116; Journal Issue: 1; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; niobium; thermoelasticity; pressure

Citation Formats

Zou, Yongtao, Qi, Xintong, Wang, Xuebing, Chen, Ting, Li, Xuefei, Welch, David, and Li, Baosheng. High-pressure behavior and thermoelastic properties of niobium studied by in situ x-ray diffraction. United States: N. p., 2014. Web. doi:10.1063/1.4887436.
Zou, Yongtao, Qi, Xintong, Wang, Xuebing, Chen, Ting, Li, Xuefei, Welch, David, & Li, Baosheng. High-pressure behavior and thermoelastic properties of niobium studied by in situ x-ray diffraction. United States. doi:10.1063/1.4887436.
Zou, Yongtao, Qi, Xintong, Wang, Xuebing, Chen, Ting, Li, Xuefei, Welch, David, and Li, Baosheng. Mon . "High-pressure behavior and thermoelastic properties of niobium studied by in situ x-ray diffraction". United States. doi:10.1063/1.4887436. https://www.osti.gov/servlets/purl/1466786.
@article{osti_1466786,
title = {High-pressure behavior and thermoelastic properties of niobium studied by in situ x-ray diffraction},
author = {Zou, Yongtao and Qi, Xintong and Wang, Xuebing and Chen, Ting and Li, Xuefei and Welch, David and Li, Baosheng},
abstractNote = {In this study, in situ synchrotron energy dispersive x-ray diffraction (XRD) experiments on Nb have been conducted at pressures up to 6.4 GPa and temperatures up to 1073 K. From the pressure-volume-temperature measurements, thermoelastic parameters were derived for the first time for Nb based on the thermal pressure (ΔPth) equation of state (EOS), modified high-T Birch-Murnaghan EOS, and Mie-Grüneisen-Debye EOS. With the pressure derivative of the bulk modulus K'T fixed at 4.0, we obtained the ambient isothermal bulk modulus KT0 = 174(5) GPa, the temperature derivative of bulk modulus at constant pressure (∂KT/∂T)P=-0.060(8) GPa K-1 and at constant volume (∂KT/∂T)V=-0.046(8) GPa K-1, the volumetric thermal expansivity αT(T)=2.3(3)×10-5+0.3(2)×10-8T (K-1), as well as the pressure dependence of thermal expansion (∂α/∂P)T=(-2.0±0.4)×10-6 K-1 GPa-1. Fitting the present data to the Mie-Grüneisen-Debye EOS with Debye temperature Θ0 = 276.6 K gives γ0 = 1.27(8) and KT0 = 171(3) GPa at a fixed value of q = 3.0. The ambient isothermal bulk modulus and Grüneisen parameter derived from this work are comparable to previously reported values from both experimental and theoretical studies. Finally, an in situ high-resolution, angle dispersive XRD study on Nb did not indicate any anomalous behavior related to pressure-induced electronic topological transitions at ~5 GPa as has been reported previously.},
doi = {10.1063/1.4887436},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 1,
volume = 116,
place = {United States},
year = {2014},
month = {7}
}

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Works referenced in this record:

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

  • Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
  • High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
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