Publication details
Electronic structure and elasticity of Z-phases in the Cr–Nb–V–N system
| Authors | |
|---|---|
| Year of publication | 2012 |
| Type | Article in Periodical |
| Magazine / Source | J. Phys. Condens. Matter |
| MU Faculty or unit | |
| 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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