Phys. Rev. B 70, 092102 (2004) [3 pages]Bonding and classification of nanolayered ternary carbidesSee Also: Erratum Received 3 April 2004; published 3 September 2004 We have investigated the elastic properties of nanolayered M2AC, with M=Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W and A=Al, Ga, Ge, Sn, by ab initio calculations. We suggest that M2AC can be classified into two groups: One where the bulk modulus of the binary MC is conserved and another group where the bulk modulus is decreased. This classification can be understood in terms of coupling between MC and A layers, which is defined by the valence electron population. These results may have implications for the understanding of properties and the performance of this class of solids. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.70.092102
DOI:
10.1103/PhysRevB.70.092102
PACS:
64.75.+g, 71.20.−b
See AlsoErratum: Zhimei Sun, Denis Music, Rajeev Ahuja, Sa Li, and Jochen M. Schneider, Erratum: Bonding and classification of nanolayered ternary carbides [Phys. Rev. B 70, 092102 (2004)], Phys. Rev. B 71, 059903 (2005). |
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