Publication Date:
2013-11-13
Description:
Author(s): P. Hemzalová, M. Friák, M. Šob, D. Ma, A. Udyansky, D. Raabe, and J. Neugebauer We have employed parameter-free density functional theory calculations to study the thermodynamic stability and structural parameters as well as elastic and electronic properties of Ni 4 N in eight selected crystallographic phases. In agreement with the experimental findings, the cubic structure with ... [Phys. Rev. B 88, 174103] Published Tue Nov 12, 2013
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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