Bonding and classification of nanolayered ternary carbides

Zhimei Sun, Denis Music, Rajeev Ahuja, Sa Li, and Jochen M. Schneider
Phys. Rev. B 70, 092102 – Published 3 September 2004; Erratum Phys. Rev. B 71, 059903 (2005)

Abstract

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.

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  • Received 3 April 2004

DOI:https://doi.org/10.1103/PhysRevB.70.092102

©2004 American Physical Society

Erratum

Erratum: Bonding and classification of nanolayered ternary carbides [Phys. Rev. B 70, 092102 (2004)]

Zhimei Sun, Denis Music, Rajeev Ahuja, Sa Li, and Jochen M. Schneider
Phys. Rev. B 71, 059903 (2005)

Authors & Affiliations

Zhimei Sun1,*, Denis Music1, Rajeev Ahuja2, Sa Li2, and Jochen M. Schneider1,3

  • 1Materials Chemistry, RWTH-Aachen, Kopernikusstr. 16, D-52074 Aachen, Germany
  • 2Department of Physics, Condensed Matter Theory Group, Uppsala Univeristy, Box 530, S-751 21 Uppsala, Sweden
  • 3Department of Physics, Materials Physics, Uppsala University, Box 530, S-751 21 Uppsala, Sweden

  • *Electronic mail: sun@mch.rwth-aachen.de

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Issue

Vol. 70, Iss. 9 — 1 September 2004

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