Equation of state and electronic properties of Cr

The systematical trends of the equation of state and electronic properties of Cr2GeC, (Cr0.5V0.5)2GeC and V2GeC have been extensively studied using ab initio pseudopotential density functional theory. A stiffer c-axis within the three nanolaminates has been observed and confirmed by the electronic structure investigations. The regular variations of B/C44, σ, C44, G, Y, C11, C12 have been revealed unambiguously for the first time with the three exceptions of C33, C13, and B only. The bonding nature, Poisson’s ratio, and brittleness-ductility relationships are also studied systematically