We investigated the structural, elastic and electronic properties of 4d-transition-metal carbides (ZrC, NbC) and nitrides (ZrN, NbN) and their ternary alloys Zr x Nb 1Àx C and Zr x Nb 1Àx N in the range 0rxr1 by using the APW+lo method to solve Kohn-Sham equations. We have used the local density app
✦ LIBER ✦
Electronic structure and elastic constants of TiCxN1−x, ZrxNb1−xC and HfCxN1−x alloys: A first-principles study
✍ Scribed by Wenxia Feng; Shouxin Cui; Haiquan Hu; Guiqing Zhang; Zengtao Lv
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 492 KB
- Volume
- 406
- Category
- Article
- ISSN
- 0921-4526
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