Prediction of New Low Compressibility Solids

@article{Liu1989PredictionON,
  title={Prediction of New Low Compressibility Solids},
  author={A. Liu and M. Cohen},
  journal={Science},
  year={1989},
  volume={245},
  pages={841 - 842}
}
  • A. Liu, M. Cohen
  • Published 1989
  • Materials Science, Medicine
  • Science
    • An empirical model and an ab initio calculation of the bulk moduli for covalent solids are used to suggest possible new hard materials. The empirical model indicates that hypothetical covalent solids formed between carbon and nitrogen are good candidates for extreme hardness. A prototype system is chosen and a first principles pseudopotential total energy calculation on the system is performed. The results are consistent with the empirical model and show that materials like the prototype can… CONTINUE READING
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    References

    SHOWING 1-10 OF 11 REFERENCES
    Experimental and theoretical equation of state of cubic boron nitride
    • 228
    Application of a general self-consistency scheme in the linear combination of atomic orbitals formalism to the electronic and structural properties of Si and W.
    • 21
    • PDF
    Dependence on volume of the phonon frequencies and the ir effective charges of several III-V semiconductors
    • 240
    • PDF
    The high‐pressure behavior of α‐quartz, oxynitride, and nitride structures
    • 44
    Introduction to Solid State Physics
    • 4,602
    • PDF
    Structural and optical properties of amorphous carbon nitride
    • 299
    On the Interaction of Electrons in Metals
    • 1,310
    The Compressibility of Media under Extreme Pressures.
    • F. D. Murnaghan
    • Materials Science, Medicine
    • Proceedings of the National Academy of Sciences of the United States of America
    • 1944
    • 4,627
    • PDF
    Analytic relation between bulk moduli and lattice constants.
    • 113
    Calculation of bulk moduli of diamond and zinc-blende solids.
    • Cohen
    • Materials Science, Medicine
    • Physical review. B, Condensed matter
    • 1985
    • 813