Compressibility measurements and phonon spectra of hexagonal transition-metal nitrides at high pressure: {epsilon}-TaN, {delta}-MoN, and Cr{sub 2}N

Soignard, Emmanuel; Shebanova, Olga; McMillan, Paul F

doi:10.1103/PHYSREVB.75.014104

Title: Compressibility measurements and phonon spectra of hexagonal transition-metal nitrides at high pressure: {epsilon}-TaN, {delta}-MoN, and Cr{sub 2}N

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Abstract

We report compressibility measurements for three transition metal nitrides ({epsilon}-TaN, {delta}-MoN, Cr{sub 2}N) that have structures based on hexagonal arrangements of the metal atoms. The studies were performed using monochromatic synchrotron x-ray diffraction at high pressure in a diamond anvil cell. The three nitride compounds are well-known high hardness materials, and they are found to be highly incompressible. The bulk modulus values measured for {epsilon}-TaN, Cr{sub 2}N, and {delta}-MoN are K{sub 0}=288(6) GPa, 275(23) GPa, and 345(9) GPa, respectively. The data were analyzed using a linearized plot of reduced pressure (F) vs the Eulerian finite strain variable f within a third-order Birch-Murnaghan equation of state formulation. The K{sub 0}{sup '} values for {epsilon}-TaN and {delta}-MoN were 4.7(0.5) and 3.5(0.3), respectively, close to the value of K{sub 0}{sup '}=4 that is typically assumed in fitting compressibility data in equation of state studies using a Birch-Murnaghan equation. However, Cr{sub 2}N was determined to have a much smaller value, K{sub 0}{sup '}=2.0(2.0), indicating a significantly smaller degree of structural stiffening with increased pressure. We also present Raman data for {epsilon}-TaN and {delta}-MoN at high pressure in order to characterize the phonon behavior in these materials. All of the Raman active modes for {epsilon}-TaNmore »« less

Authors:

Soignard, Emmanuel ^[1]; Shebanova, Olga; McMillan, Paul F ^[2]

Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287-1604 (United States)
Christopher Ingold Laboratory and Materials Chemistry Centre, Department of Chemistry, University College London, London WC1H 0AJ, United Kingdom and Davy-Faraday Research Laboratory, Royal Institution of Great Britain, London W1S 4BS (United Kingdom)

Publication Date:: Mon Jan 01 00:00:00 EST 2007

OSTI Identifier:: 20976631

Resource Type:: Journal Article

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 75; Journal Issue: 1; Other Information: DOI: 10.1103/PhysRevB.75.014104; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1098-0121

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CHROMIUM NITRIDES; COMPRESSIBILITY; DIAMONDS; EQUATIONS OF STATE; HARDNESS; MOLYBDENUM NITRIDES; MONOCHROMATIC RADIATION; PHONONS; PRESSURE RANGE GIGA PA; PRESSURE RANGE MEGA PA 10-100; RAMAN SPECTRA; TANTALUM NITRIDES; TRANSITION ELEMENTS; X RADIATION; X-RAY DIFFRACTION

Citation Formats


                    Soignard, Emmanuel, Shebanova, Olga, and McMillan, Paul F. Compressibility measurements and phonon spectra of hexagonal transition-metal nitrides at high pressure: {epsilon}-TaN, {delta}-MoN, and Cr{sub 2}N.  United States: N. p., 2007. 
        Web.  doi:10.1103/PHYSREVB.75.014104.

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                    Soignard, Emmanuel, Shebanova, Olga, & McMillan, Paul F. Compressibility measurements and phonon spectra of hexagonal transition-metal nitrides at high pressure: {epsilon}-TaN, {delta}-MoN, and Cr{sub 2}N.  United States.  https://doi.org/10.1103/PHYSREVB.75.014104

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                    Soignard, Emmanuel, Shebanova, Olga, and McMillan, Paul F. 2007.  
        "Compressibility measurements and phonon spectra of hexagonal transition-metal nitrides at high pressure: {epsilon}-TaN, {delta}-MoN, and Cr{sub 2}N".  United States.  https://doi.org/10.1103/PHYSREVB.75.014104.

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@article{osti_20976631,

  title        = {Compressibility measurements and phonon spectra of hexagonal transition-metal nitrides at high pressure: {epsilon}-TaN, {delta}-MoN, and Cr{sub 2}N},

  author       = {Soignard, Emmanuel and Shebanova, Olga and McMillan, Paul F},

  abstractNote = {We report compressibility measurements for three transition metal nitrides ({epsilon}-TaN, {delta}-MoN, Cr{sub 2}N) that have structures based on hexagonal arrangements of the metal atoms. The studies were performed using monochromatic synchrotron x-ray diffraction at high pressure in a diamond anvil cell. The three nitride compounds are well-known high hardness materials, and they are found to be highly incompressible. The bulk modulus values measured for {epsilon}-TaN, Cr{sub 2}N, and {delta}-MoN are K{sub 0}=288(6) GPa, 275(23) GPa, and 345(9) GPa, respectively. The data were analyzed using a linearized plot of reduced pressure (F) vs the Eulerian finite strain variable f within a third-order Birch-Murnaghan equation of state formulation. The K{sub 0}{sup '} values for {epsilon}-TaN and {delta}-MoN were 4.7(0.5) and 3.5(0.3), respectively, close to the value of K{sub 0}{sup '}=4 that is typically assumed in fitting compressibility data in equation of state studies using a Birch-Murnaghan equation. However, Cr{sub 2}N was determined to have a much smaller value, K{sub 0}{sup '}=2.0(2.0), indicating a significantly smaller degree of structural stiffening with increased pressure. We also present Raman data for {epsilon}-TaN and {delta}-MoN at high pressure in order to characterize the phonon behavior in these materials. All of the Raman active modes for {epsilon}-TaN were identified using polarized spectroscopy. Peaks at low frequency are due to Ta motions, whereas modes at higher wave number contain a large component of N motion. The high frequency modes associated with Ta-N stretching vibrations are more sensitive to compression than the metal displacements occurring at lower wave number. The mode assignments can be generally extended to {delta}-MoN, that has a much more complex Raman spectrum. The x-ray and Raman data for {epsilon}-TaN show evidence for structural disordering occurring above 20 GPa, whereas no such change is observed for {delta}-MoN.},

  doi          = {10.1103/PHYSREVB.75.014104},

  url          = {https://www.osti.gov/biblio/20976631},
  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  issn         = {1098-0121},

  number       = 1,

  volume       = 75,

  place        = {United States},

  year         = {Mon Jan 01 00:00:00 EST 2007},

  month        = {Mon Jan 01 00:00:00 EST 2007}

}

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