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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.46 [2008] >
IJPAP Vol.46(06) [June 2008] >
| Title: | Electronic and structural properties of transition metal mono nitrides |
| Authors: | Ojha, Poonam
Rakshit, Bipul
Pagare, G
Sanyal, Sankar P |
| Keywords: | ab- initio calculations
Atoms electronic structural calculation
Electronic properties
Structural properties |
| Issue Date: | Jun-2008 |
| Publisher: | CSIR |
| Abstract: | The electronic and elastic properties of rock-salt structured nitrides, namely TiN and VN have been studied using ab-initio pseudopotential scheme and local density approximation. Both the compounds show metallic behaviour, with a large gap between occupied and unoccupied states. The mechanical and the elastic properties show excellent agreement with experimental results and well compared with other theoretical results because of the inclusion of partial core correction in the present calculation. |
| Page(s): | 375-377 |
| ISSN: | 0019-5596 |
| Source: | IJPAP Vol.46(06) [June 2008]
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