103 citations · 123 across the 3 of their papers we have counts for
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High-entropy ceramic thin films; A case study on transition metal diborides
Paul H. Mayrhofer, Alexander Kirnbauer, Philipp Ertelthaler +1
High-entropy materials often outperform their lower-entropy relatives in various aspects, such as thermal stability and fracture toughness. While there are extensive research activ…
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…
Structural and mechanical properties of nitrogen-deficient cubic Cr-Mo-N and Cr-W-N systems
Liangcai Zhou, Fedor Klimashin, David Holec +1
The tendency for nitrogen deficiency in cubic Cr-Mo-N and Cr-W-N solid solutions is predicted by a comprehensive evaluation of the lattice spacing, mixing thermodynamics, and elast…
Surface energies of AlN allotropes from first principles
David Holec, Paul H. Mayrhofer
In this Letter we present first principle calculation of surface energies of rock-salt (B1), zinc-blende (B3), and wurtzite (B4) AlN allotropes. Out of several low-index facets, th…