The correlation between the electronic structure and elastic properties of nanolaminates

ISSN： 1543-1851

Source： JOM, Vol.59, Iss.7, 2007-07, pp. : 60-64

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Abstract

Upon reviewing the correlation between the electronic structure and the elastic properties of nanolaminates based on the previously published ab-initio data, the authors suggest that nanolaminates can be described as interleaved layers of high and low electron density. M_n+1AX_n phases (space group P6₃/mmc) can be characterized by stacking of layers of high (MX) and low (A) electron density. Furthermore, the M_n+1AX_n phases possess the bulk-modulus-to-C₄₄ ratio of 1.2–1.7, which in turn gives rise to a combination of ceramic and metallic properties. This design criterion is not only limited to the M_n+1AX_n phases, but it can be found in many other phases crystallizing in the same space group (ternary phosphides, Al₃BC₃, Zr₂Al₃C₅, and W₂B₅ based phases) and the related space group P6/mmm (Y_n+1Co_3n+5B_2n) as well as in the phases of the cubic symmetry (perovskite borides and nitrides).