skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Thermal equation of state of cubic boron nitride: Implications for a high-temperature pressure scale

Abstract

The equation of state of cubic boron nitride (cBN) has been determined to a maximum temperature of 3300 K at a simultaneous static pressure of up to more than 70 GPa. Ab initio calculations to 80 GPa and 2000 K have also been performed. Our experimental data can be reconciled with theoretical results and with the known thermal expansion at 1 bar if we assume a small increase in pressure during heating relative to that measured at ambient temperature. The present data combined with the Raman measurements we presented earlier form the basis of a high-temperature pressure scale that is good to at least 3300 K.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [1];  [7]; ;  [8]
  1. Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, DC 20015 (United States)
  2. (United States)
  3. Lawrence Livermore National Laboratory, University of California, 7000 East Avenue, Livermore, California 94551 (United States)
  4. School of Chemistry, The University of Edinburgh, Edinburgh (United Kingdom)
  5. Institut fuer Theoretische Physik, Freie Universitaet Berlin, Berlin, Germany and Fritz Haber Institute of the Max Planck Society, Berlin (Germany)
  6. Universite Pierre et Marie Curie and Insitut de Physique du Globe de Paris, Paris (France)
  7. (United Kingdom)
  8. European Synchrotron Radiation Facility, Grenoble (France)
Publication Date:
OSTI Identifier:
20951528
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 75; Journal Issue: 22; Other Information: DOI: 10.1103/PhysRevB.75.224114; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; AMBIENT TEMPERATURE; BORON NITRIDES; EQUATIONS OF STATE; HEATING; PRESSURE RANGE GIGA PA; PRESSURE RANGE MEGA PA 10-100; RAMAN SPECTRA; SEMICONDUCTOR MATERIALS; TEMPERATURE RANGE 0400-1000 K; THERMAL EXPANSION

Citation Formats

Goncharov, Alexander F., Lawrence Livermore National Laboratory, University of California, 7000 East Avenue, Livermore, California 94551, Crowhurst, Jonathan C., Dewhurst, John K., Sharma, Sangeeta, Sanloup, Chrystele, Gregoryanz, Eugene, School of Physics and Center for Science at Extreme Conditions, University of Edinburgh, Edinburgh, Guignot, Nicolas, and Mezouar, Mohamed. Thermal equation of state of cubic boron nitride: Implications for a high-temperature pressure scale. United States: N. p., 2007. Web. doi:10.1103/PHYSREVB.75.224114.
Goncharov, Alexander F., Lawrence Livermore National Laboratory, University of California, 7000 East Avenue, Livermore, California 94551, Crowhurst, Jonathan C., Dewhurst, John K., Sharma, Sangeeta, Sanloup, Chrystele, Gregoryanz, Eugene, School of Physics and Center for Science at Extreme Conditions, University of Edinburgh, Edinburgh, Guignot, Nicolas, & Mezouar, Mohamed. Thermal equation of state of cubic boron nitride: Implications for a high-temperature pressure scale. United States. doi:10.1103/PHYSREVB.75.224114.
Goncharov, Alexander F., Lawrence Livermore National Laboratory, University of California, 7000 East Avenue, Livermore, California 94551, Crowhurst, Jonathan C., Dewhurst, John K., Sharma, Sangeeta, Sanloup, Chrystele, Gregoryanz, Eugene, School of Physics and Center for Science at Extreme Conditions, University of Edinburgh, Edinburgh, Guignot, Nicolas, and Mezouar, Mohamed. Fri . "Thermal equation of state of cubic boron nitride: Implications for a high-temperature pressure scale". United States. doi:10.1103/PHYSREVB.75.224114.
@article{osti_20951528,
title = {Thermal equation of state of cubic boron nitride: Implications for a high-temperature pressure scale},
author = {Goncharov, Alexander F. and Lawrence Livermore National Laboratory, University of California, 7000 East Avenue, Livermore, California 94551 and Crowhurst, Jonathan C. and Dewhurst, John K. and Sharma, Sangeeta and Sanloup, Chrystele and Gregoryanz, Eugene and School of Physics and Center for Science at Extreme Conditions, University of Edinburgh, Edinburgh and Guignot, Nicolas and Mezouar, Mohamed},
abstractNote = {The equation of state of cubic boron nitride (cBN) has been determined to a maximum temperature of 3300 K at a simultaneous static pressure of up to more than 70 GPa. Ab initio calculations to 80 GPa and 2000 K have also been performed. Our experimental data can be reconciled with theoretical results and with the known thermal expansion at 1 bar if we assume a small increase in pressure during heating relative to that measured at ambient temperature. The present data combined with the Raman measurements we presented earlier form the basis of a high-temperature pressure scale that is good to at least 3300 K.},
doi = {10.1103/PHYSREVB.75.224114},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 22,
volume = 75,
place = {United States},
year = {Fri Jun 01 00:00:00 EDT 2007},
month = {Fri Jun 01 00:00:00 EDT 2007}
}
  • We present results establishing a new high pressure scale at high temperature based on the thermal equation of state and elastic properties of cubic boron nitride (cBN). This scale is derived from simultaneous measurements of density and sound velocities at high pressure and temperature independent of any previous pressure scale. The present results obtained at room temperature to 27 GPa suggest the validity of the current ruby scale (within {+-}4% at 100 GPa). At high temperature, data obtained at 16 GPa to 723 K are in fair agreement with the thermal equation of state of cBN reported in our previousmore » work. We have also shown that cBN can serve as a convenient pressure gauge in X-ray and optical studies using the laser heated diamond anvil cell.« less
  • We report accurate measurements of the equation of state (EOS) of cubic boron nitride by x-ray diffraction up to 160 GPa at 295 K and 80 GPa in the range 500-900 K. Experiments were performed on single crystals embedded in a quasihydrostatic pressure medium (helium or neon). Comparison between the present EOS data at 295 K and literature allows us to critically review the recent calibrations of the ruby standard. The full P-V-T data set can be represented by a Mie-Grueneisen model, which enables us to extract all relevant thermodynamic parameters: bulk modulus and its first pressure derivative, thermal expansionmore » coefficient, and thermal Grueneisen parameter and its volume dependence. This equation of state is used to determine the isothermal Grueneisen mode parameter of the Raman TO band. A formulation of the pressure scale based on this Raman mode, using physically constrained parameters, is deduced.« less
  • A p-n junction diode of cubic boron nitride was made by growing an n-type crystal epitaxially on a p-type seed crystal at a pressure of 55 kilobars and a temperature of about 1700/sup 0/C. A temperature-difference solvent method was used for the crystal growth, and beryllium and silicon were doped as acceptors and donors, respectively. Formation of the p-n junction was clearly confirmed at 1 bar by rectification characteristics and by existence of a space charge layer of the junction as observed by electron beam induced current measurement. This diode operated at 530/sup 0/C. 14 references, 2 figures.
  • Graphite BC[sub 2]N has been compressed with Co metal at a pressure of 5.5 GPa and temperatures of 1400-1600[degrees]C. The principal resulting products were crystals (average dimension 3 [mu]m) with cubiclike facets. The powder X-ray diffraction pattern revealed two kinds of cubic phase, in approximately equal amounts, which were identified as diamond and cBN on the basis of their lattice parameters. Microelemental analyses on individual crystal fragments by K-edge electron energy-loss spectroscopy confirmed this disproportionating crystallization scheme: half of the grains were composed of carbon-only signals of which gave fine-structure characteristic of sp[sup 3] bonding and the other half gavemore » spectra characteristic of sp[sup 3] boron and nitrogen. The crystallization of cBN as well as diamond in the catalytic solvent of pure Co metal is observed here for the first time and is of relevance to the mechanism of the accepted catalytic action of cobalt on the hexagonal/cubic transformation. 26 refs., 4 figs., 2 tabs.« less
  • The size-dependent phase diagram of BN was developed on the basis of the nanothermodynamic theory. Our studied results suggest that cubic BN (c-BN) is more stable than hexagonal BN (h-BN) in the deep nanometer scale and the triple point of c-BN, h-BN and liquid shifts toward the lower temperature and pressure with decreasing the crystal size. Moreover, surface stress, which is determined by the experimental conditions, is the main reason to influence the formation of c-BN nuclei. The developed phase diagram of BN could help us to exploit new techniques for the fabrication of c-BN nanomaterials. - Graphical abstract: Themore » size-dependent phase diagram of BN was developed on the basis of nanothermodynamic theory and it can be used to predict whether cubic BN (c-BN) can be formed at a given condition. Highlights: > Size-dependent phase diagram of BN is constructed. > Cubic BN is more stable than hexagonal BN in the deep nanometer scale. > Formation of nanosized cubic BN depends on surface stress.« less