220 citations · 1k across the 18 of their papers we have counts for
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Impact of point defects on the electronic structure of paramagnetic CrN
David Holec, Liangcai Zhou, Zaoli Zhang +1
This paper presents first principles calculations of paramagnetic cubic CrN with the aim to provide deeper insight into recently published transmission electron microscopy-base…
Structural stability and thermodynamics of CrN magnetic phases from ab initio and experiment
Liangcai Zhou, David Holec, Matthias Bartosik +4
The dynamical and thermodynamic phase stabilities of the stoichiometric compound CrN including different structural and magnetic configurations are comprehensively investigated usi…
Complementary ab initio and X-ray nano-diffraction study of Ta2O5
R. Hollerweger, D. Holec, J. Paulitsch +7
Numerous different crystal structures of Ta2O5 are reported in literature. Although experimentally and computationally obtained lattice parameters and mechanical properties are in…