V. ACKNOWLEDGEMENTS This work was supported by the National Natural Science Foundation of China (No.U1204501, No.11304141, No.11105115). We thank Prof. Alberto Qtero-de-laRoza and his colleague for the FEQHA model (Gibbs2 code). We also acknowledge Prof. M. A. Blanco and his co-workers for their QHD model (Gibbs code).
Atomistic modeling based on the accurate first-principles method is used to investigate the lattice parameter, elastic constant, elastic modulus including bulk modulus (B) and shear modulus (G), Poisson's ratio, ...