204 citations · 1.3k across the 31 of their papers we have counts for
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Vacancy-driven extended stability of cubic metastable Ta-Al-N and Nb-Al-N phases
Ferdinand Pacher, Paul H. Mayrhofer, David Holec
Quantum mechanical calculations had been previously applied to predict phase stability in many ternary and multinary nitride systems. While the predictions were very accurate for t…
Graphite Under Compression: Shift of Layer Breathing and Shear Modes Frequencies with Interlayer Spacing
Y. W. Sun, D. Holec, Y. Xu +1
Layered materials have huge potential in various applications due to their extraordinary properties. To determine the interlayer interaction (or equivalently the layer spacing unde…
Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: a first-principles study
Nikola Koutná, David Holec, Martin Friák +2
Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another mat…