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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]
+ Show Author Affiliations
  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.
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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.
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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.
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@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}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI:  10.1063/1.5009617
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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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Works referenced in this record:

Effect of pressure on Raman phonons in zirconium metal
journal, November 1997

Thermal equations of state of the α , β , and ω phases of zirconium
journal, May 2005

High-pressure behavior and thermoelastic properties of niobium studied by in situ x-ray diffraction
journal, July 2014

  • Zou, Yongtao; Qi, Xintong; Wang, Xuebing
  • Journal of Applied Physics, Vol. 116, Issue 1
  • DOI: 10.1063/1.4887436

Grüneisen parameters for the equation of state of solids
journal, April 1957

Sound velocity measurement using transfer function method
journal, October 2002

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Ab initio investigation of the Nb–Al system
journal, September 2015

Pressure derivatives of the elastic moduli of BCC Ti-V-Cr, Nb-Mo and Ta-W alloys
journal, May 1979

  • Katahara, K. W.; Manghnani, M. H.; Fisher, E. S.
  • Journal of Physics F: Metal Physics, Vol. 9, Issue 5
  • DOI: 10.1088/0305-4608/9/5/006

Elasticity of the superconducting metals V, Nb, Ta, Mo, and W at high pressure
journal, June 2008

Test of a Melting Criterion for Cubic Metals
journal, March 1968

  • Gupta, R. P.; Sharma, P. K.
  • The Journal of Chemical Physics, Vol. 48, Issue 6
  • DOI: 10.1063/1.1669467

The Lindemann and Grüneisen Laws
journal, April 1956

High-pressure equation of state for Nb with a helium-pressure medium: Powder x-ray diffraction experiments
journal, June 2006

First-principles simulation: ideas, illustrations and the CASTEP code
journal, March 2002

  • Segall, M. D.; Lindan, Philip J. D.; Probert, M. J.
  • Journal of Physics: Condensed Matter, Vol. 14, Issue 11
  • DOI: 10.1088/0953-8984/14/11/301

Calculated thermal properties of metals
journal, January 1988

Elasticity and sound velocities of polycrystalline Mg 3 Al 2 (SiO 4 ) 3 garnet up to 20 GPa and 1700 K
journal, July 2012

  • Zou, Yongtao; Irifune, Tetsuo; Gréaux, Steeve
  • Journal of Applied Physics, Vol. 112, Issue 1
  • DOI: 10.1063/1.4736407

Pressure derivatives of the elastic moduli of niobium and tantalum
journal, February 1976

  • Katahara, K. W.; Manghnani, M. H.; Fisher, E. S.
  • Journal of Applied Physics, Vol. 47, Issue 2
  • DOI: 10.1063/1.322666

Isothermal compression of bcc transition metals to 100 kbar
journal, January 1978

  • Ming, Li‐chung; Manghnani, Murli H.
  • Journal of Applied Physics, Vol. 49, Issue 1
  • DOI: 10.1063/1.324325

Unusual pressure response of the E 2g mode and elastic shear modulus C 44 in hcp scandium
journal, November 2006

Optical zone-centre phonon modes and macroscopic elasticity in hcp metals
journal, July 2000

Electron-phonon coupling in high-pressure Nb
journal, April 2004

Effects of High Pressure on the Structure of VH 0.5 and NbH 0.75
journal, June 1983

  • Fukizawa, Akira; Fukai, Yuh
  • Journal of the Physical Society of Japan, Vol. 52, Issue 6
  • DOI: 10.1143/JPSJ.52.2102

Thermoelastic equation of state of molybdenum
journal, October 2000

  • Zhao, Yusheng; Lawson, Andrew C.; Zhang, Jiangzhong
  • Physical Review B, Vol. 62, Issue 13
  • DOI: 10.1103/PhysRevB.62.8766

Unusual Pressure Effect on the Shear Modulus in MgAl 2 O 4 Spinel
journal, November 2013

  • Zou, Yongtao; Gréaux, Steeve; Irifune, Tetsuo
  • The Journal of Physical Chemistry C, Vol. 117, Issue 46
  • DOI: 10.1021/jp404901a

The role of defects on thermophysical properties: Thermal expansion of V, Nb, Ta, Mo and W
journal, July 1998

Superconducting Tc and Electron-Phonon Coupling in Nb to 132 GPa: Magnetic Susceptibility at Megabar Pressures
journal, November 1997

Strength and elasticity of niobium under high pressure
journal, June 2011

  • Singh, Anil K.; Liermann, Hanns-Peter
  • Journal of Applied Physics, Vol. 109, Issue 11
  • DOI: 10.1063/1.3594748

Thermal equation of state of copper studied by high P-T synchrotron x-ray diffraction
journal, February 2009

  • Wang, Yuejian; Zhang, Jianzhong; Xu, Hongwu
  • Applied Physics Letters, Vol. 94, Issue 7
  • DOI: 10.1063/1.3085997

Third‐Order Elastic Constants of Single‐Crystal and Polycrystalline Columbium
journal, June 1968

  • Graham, L. J.; Nadler, H.; Chang, Roger
  • Journal of Applied Physics, Vol. 39, Issue 7
  • DOI: 10.1063/1.1656726
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