Transition Metal Nitrides: A First Principles Study
The present work describes the structural stability and electronic and mechanical properties of transition metal nitrides (TmNs: B1 cubic structure (cF8, Fm 3‾$$\overline 3 $$ m)) using first principles density functional theory (DFT) within generalized gradient approximation (GGA). The lattice cons...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2016-04-01
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| Series: | High Temperature Materials and Processes |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/htmp-2014-0169 |