Mechanical Properties and Phase Stability of Monoborides using Density Functional Theory Calculations

Hyojung Kim & Dallas R. Trinkle
This data demonstrates the Ti-monoborides with improved polycrystalline elastic properties such as Young's modulus and Pugh's ratio, and stacking fault energies. The lattice parameters, total energies and elastic constants of monoborides are computed using density functional theory
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