Elastic constants of NbC and MoN: Instability of <span class="aps-inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><mrow><msub><mrow><mi>B</mi></mrow><mrow><mn>1</mn></mrow></msub></mrow></math></span>-MoN

Jing Chen; L. L. Boyer; H. Krakauer; M. J. Mehl

doi:10.1103/PhysRevB.37.3295

Elastic constants of NbC and MoN: Instability of $B_{1}$ -MoN

Jing Chen, L. L. Boyer, H. Krakauer, and M. J. Mehl

Phys. Rev. B 37, 3295 – Published 1 March 1988

Abstract

Total energies of MoN have been calculated for small strains from the cubic $B_{1}$ structure to orthorhombic and trigonal structures, and $B_{1}$ -MoN was found to be unstable. To check the reliability of the calculations, we have also calculated the elastic constants for $B_{1}$ -NbC and obtained good agreement with experimental results.