Publication details

Electronic structure and elasticity of Z-phases in the Cr–Nb–V–N system

Authors

LEGUT Dominik PAVLŮ Jana

Year of publication 2012
Type Article in Periodical
Magazine / Source J. Phys. Condens. Matter
MU Faculty or unit

Central European Institute of Technology

Citation
Web http://iopscience.iop.org/0953-8984/24/19/195502/
Doi http://dx.doi.org/10.1088/0953-8984/24/19/195502
Field Solid matter physics and magnetism
Keywords electronic structure; elasticity; Z-phase; Cr–Nb–V–N system
Description Structural properties and energetics of Cr-based Z-phases (CrNbN, Cr(Nb,V)N and CrVN) were investigated. Enthalpies of formation show that all three Z-phases are stable at T = 0 K. The electronic structures of Z-phases including densities of states and charge densities were analysed. The calculated bulk moduli and elastic constants were used to evaluate stability conditions and elastic anisotropy ratios.
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