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

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/1.5009617· OSTI ID:1505561
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)
+ Show Author Affiliations

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.

Research Organization:
State Univ. of New York (SUNY), Stony Brook, NY (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
NA0002907
OSTI ID:
1505561
Alternate ID(s):
OSTI ID: 1415504
Journal Information:
Applied Physics Letters, Vol. 112, Issue 1; ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 12 works
Citation information provided by
Web of Science

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Figures / Tables (5)

FIG. 1(p. 3)figure FIG. 1
FIG. 2(p. 4)figure FIG. 2
FIG. 3(p. 4)figure FIG. 3
FIG. 4(p. 5)figure FIG. 4
TABLE I(p. 5)table TABLE I

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36 MATERIALS SCIENCE