Electronic and mechanical properties, phase stability, and formation energies of point defects of niobium boronitride Nb2BN
| Autor: | I. R. Shein, D.V. Suetin |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Materials science
Solid-state physics Condensed matter physics Niobium Ab initio chemistry.chemical_element Fermi surface 02 engineering and technology Electronic structure 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Crystallographic defect Electronic Optical and Magnetic Materials Condensed Matter::Materials Science Paramagnetism chemistry Phase (matter) 0103 physical sciences 010306 general physics 0210 nano-technology |
| Zdroj: | Physics of the Solid State. 59:1481-1491 |
| ISSN: | 1090-6460 1063-7834 |
| DOI: | 10.1134/s1063783417080285 |
| Popis: | The electronic structure, Fermi surface, Sommerfeld and Pauli paramagnetic susceptibility coefficients, cohesive energies, phase and point defect formation energies, elastic constants, bulk, shear, and Young moduli, Poisson ratios, and Vickers microhardness of niobium boronitride Nb2BN are determined by the ab initio FLAPW-GGA full-potential method. The obtained values are discussed in comparison with similar data for Mo2BC and other related binary carbides, nitrides, and borides of transition metals, and with available experimental data. |
| Databáze: | OpenAIRE |
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