The structural and electronic properties of three isostructural transition metal nitrides VN, NbN and TaN have been calculated using the full-potential linearized augmented plane-wave method within a generalized gradient approximation scheme for the exchange-correlation potential. Perfect NaCl struc
Acoustical and elastic properties of transition metal nitrides
β Scribed by Rajendra Kumar Singh; Rishi Pal Singh; Manish Pratap Singh
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 311 KB
- Volume
- 404
- Category
- Article
- ISSN
- 0921-4526
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β¦ Synopsis
Elastic moduli of transition metal nitrides, TiN, ZrN and HfN, have been evaluated using electrostatic and Born repulsive potentials. Acoustical dissipation due to phonon-phonon (p-p) interaction, thermoelastic mechanism and dislocation damping due to screw and edge dislocations has been evaluated in the temperature range 50-500 K along the three crystallographic directions of propagation, viz. [1 0 0], [11 0] and [111] for longitudinal and shear modes. Gru Β¨neisen numbers, acoustic coupling constants and their ratios have been evaluated for the longitudinal and shear waves. Results are in good agreement with available data.
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