Hexagonal-structured ε-NbN: ultra-incompressibility, high shear rigidity and a possible hard superconducting material
Abstract
Exploring the structural stability and elasticity of hexagonal ε-NbN helps discover correlations among its physical properties for scientific and technological applications. Here, for the first time, we measured the ultra-incompressibility and high shear rigidity of polycrystalline hexagonal ε-NbN using ultrasonic interferometry and in situ X-ray diffraction, complemented with first-principles density-functional theory calculations up to 30 GPa in pressure. Using a finite strain equation of state approach, the elastic bulk and shear moduli, as well as their pressure dependences are derived from the measured velocities and densities, yielding BS0 = 373.3(15) GPa, G0 = 200.5(8) GPa, ∂BS/∂P = 3.81(3) and ∂G/∂P = 1.67(1). The hexagonal ε-NbN possesses a very high bulk modulus, rivaling that of superhard material cBN (B0 = 381.1 GPa). The high shear rigidity is comparable to that for superhard γ-B (G0 = 227.2 GPa). We found that the crystal structure of transition-metal nitrides and the outmost electrons of the corresponding metals may dominate their pressure dependences in bulk and shear moduli. In addition, the elastic moduli, Vickers hardness, Debye temperature, melting temperature and a possible superconductivity of hexagonal ε-NbN all increase with pressures, suggesting its exceptional suitability for applications under extreme conditions.
- Authors:
-
- State Univ. of New York (SUNY), Stony Brook, NY (United States); Jilin Univ., Changchun (China). State Key Lab. of Superhard Materials
- State Univ. of New York (SUNY), Stony Brook, NY (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States); State Univ. of New York (SUNY), Stony Brook, NY (United States)
- Jilin Univ., Changchun (China). State Key Lab. of Superhard Materials
- Publication Date:
- Research Org.:
- Stony Brook Univ., NY (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1466791
- Alternate Identifier(s):
- OSTI ID: 1226032; OSTI ID: 1466789
- Report Number(s):
- BNL-108266-2015-JA
Journal ID: ISSN 2045-2322; PII: BFsrep10811
- Grant/Contract Number:
- NA0001815; SC00112704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 1; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; NbN; shear rigidity; superconductor
Citation Formats
Zou, Yongtao, Wang, Xuebing, Chen, Ting, Li, Xuefei, Qi, Xintong, Welch, David, Zhu, Pinwen, Liu, Bingbing, Cui, Tian, and Li, Baosheng. Hexagonal-structured ε-NbN: ultra-incompressibility, high shear rigidity and a possible hard superconducting material. United States: N. p., 2015.
Web. doi:10.1038/srep10811.
Zou, Yongtao, Wang, Xuebing, Chen, Ting, Li, Xuefei, Qi, Xintong, Welch, David, Zhu, Pinwen, Liu, Bingbing, Cui, Tian, & Li, Baosheng. Hexagonal-structured ε-NbN: ultra-incompressibility, high shear rigidity and a possible hard superconducting material. United States. https://doi.org/10.1038/srep10811
Zou, Yongtao, Wang, Xuebing, Chen, Ting, Li, Xuefei, Qi, Xintong, Welch, David, Zhu, Pinwen, Liu, Bingbing, Cui, Tian, and Li, Baosheng. Mon .
"Hexagonal-structured ε-NbN: ultra-incompressibility, high shear rigidity and a possible hard superconducting material". United States. https://doi.org/10.1038/srep10811. https://www.osti.gov/servlets/purl/1466791.
@article{osti_1466791,
title = {Hexagonal-structured ε-NbN: ultra-incompressibility, high shear rigidity and a possible hard superconducting material},
author = {Zou, Yongtao and Wang, Xuebing and Chen, Ting and Li, Xuefei and Qi, Xintong and Welch, David and Zhu, Pinwen and Liu, Bingbing and Cui, Tian and Li, Baosheng},
abstractNote = {Exploring the structural stability and elasticity of hexagonal ε-NbN helps discover correlations among its physical properties for scientific and technological applications. Here, for the first time, we measured the ultra-incompressibility and high shear rigidity of polycrystalline hexagonal ε-NbN using ultrasonic interferometry and in situ X-ray diffraction, complemented with first-principles density-functional theory calculations up to 30 GPa in pressure. Using a finite strain equation of state approach, the elastic bulk and shear moduli, as well as their pressure dependences are derived from the measured velocities and densities, yielding BS0 = 373.3(15) GPa, G0 = 200.5(8) GPa, ∂BS/∂P = 3.81(3) and ∂G/∂P = 1.67(1). The hexagonal ε-NbN possesses a very high bulk modulus, rivaling that of superhard material cBN (B0 = 381.1 GPa). The high shear rigidity is comparable to that for superhard γ-B (G0 = 227.2 GPa). We found that the crystal structure of transition-metal nitrides and the outmost electrons of the corresponding metals may dominate their pressure dependences in bulk and shear moduli. In addition, the elastic moduli, Vickers hardness, Debye temperature, melting temperature and a possible superconductivity of hexagonal ε-NbN all increase with pressures, suggesting its exceptional suitability for applications under extreme conditions.},
doi = {10.1038/srep10811},
journal = {Scientific Reports},
number = 1,
volume = 5,
place = {United States},
year = {Mon Jun 01 00:00:00 EDT 2015},
month = {Mon Jun 01 00:00:00 EDT 2015}
}
Web of Science
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