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Theoretical studies of structural, elastic, electronic and lattice dynamic properties of AlxYyB1−x−yN quaternary alloys

✍ Scribed by B. Ghebouli; M.A. Ghebouli; M. Fatmi


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
448 KB
Volume
406
Category
Article
ISSN
0921-4526

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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