[1] Zhang J H, Ding J W, Cao J X, et al. Infrared, visible and ultraviolet absorptions of transition metal doped ZnS crystals with spin-polarized bands [J]. Journal of Solid State Chemistry, 2011, 184(3): 477-480.

[9] Payne M C, Teter M P, Allan D C, et al. Iterative minimization techniques for ab initio total-energy calculations-molecular-dynamics and conjugate gradients [J]. Review of Modern Physics, 1992, 64: 1045-1096.

[10] Zhang F P, Lu Q M, Zhang X, et al. Electrical transport properties of CaMnO3 thermoelectric compound: A theoretical study [J]. Journal of Physics and Chemistry of Solids, 2013, 74: 1859-1864.

[11] Fang H, Zhang F P, Jiang Z N, et al. Strain-induced asymmetric modulation of bandgap in narrow armchair-edge grapheme nanoribbon [J]. Modern Physics Letters B, 2015, 29(34): 1550224.