On the discrepancies between the experimental realization and the thermodynamic predictions of stability of rhombohedral boron nitride

Abstract

Equilibrium thermodynamic calculations were performed to generate diagrams indicating the phase fields wherein either hexagonal or rhombohedral films of boron nitride can be deposited via chemical vapor deposition as a function of temperature, choice of B-source, and N/B ratio derived from NH3 and the B-source. Similar diagrams calculated using experimental conditions employed by groups who have synthesized r-BN films revealed that both in experiment and equilibrium, the choice of B-source strongly affects the size of the single-phase field for r-BN and, in general, deposition of r-BN can be realized at temperatures more than 100°C below that predicted by equilibria.

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Data availability

All data generated or analyzed during this study are included in this published article and its supplementary information files. The thermodynamic information for all species other than h-BN (s) and r-BN (s) is contained within the FactPS thermodynamic database, native to FactSage computational software.[27]

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Acknowledgments

Funding for this work was made possible thanks to the National GEM Consortium Fellowship, the Neil and Jo Bushnell Fellowship in Engineering, and the John and Claire Bertucci Fellowship.

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Correspondence to Philip M. Jean-Remy.

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Jean-Remy, P.M., Davis, R.F. On the discrepancies between the experimental realization and the thermodynamic predictions of stability of rhombohedral boron nitride. MRS Communications (2021). https://doi.org/10.1557/s43579-021-00053-9

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Keywords

  • 2D materials
  • Chemical vapor deposition
  • Phase equilibria
  • Thermodynamics
  • Thin film