Miao, N., C. Pu, C. He, F. Zhang, C. Lu, Z. Lu, and D. Zhou. 2014.“Mechanical and thermodynamic properties of the monoclinic and orthorhombic phases of SiC2N4 under high pressure from first principles*.”Chinese Physics B 23 (12): 127101-127110. Jia, J., D. Zhou, J. Zhang, F. Zhang, Z. Lu, and C. Pu. 2014.“First-principles investigation of elastic and thermodynamic properties of SiCN under pressure.”Computational Materials Science 95: 228-234. Cheng, Z., T. Liu, C. Yang, H. Gan, J. Chen, and F. Zhang. 2013.“Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO2.”Journal of Alloys and Compounds 546: 246-252. Zhang, F., J. D. Gale, B. P. Uberuaga, C. R. Stanek, and N. A. Marks. 2013.“Importance of dispersion in density functional calculations of cesium chloride and its related halides.”Physical Review B 88 (5): 054112-1-054112-7. Zhang, F., and K. V. Wright. 2012.“Coupled (Li+, Al3+) substitutions in hydrous forsterite.”American Mineralogist 97: 425-429. Gu, Q., L. Gao, Y. Guo, Y. Tan, Z. Tang, K. S. Wallwork, F. Zhang, and X. Yu. 2012.“Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release.”Energy and Environmental Science 5: 7590-7600. Zhang, F., and K. V. Wright. 2012.“Lithium defects and diffusivity in forsterite.”Geochimica Et Cosmochimica Acta 91: 32-39. Cheng, Z., T. Liu, C. Yang, H. Gan, F. Zhang, and J. Cheng. 2012.“Study on the electronic structures of the reduced anatase TiO2 by the first-principle calculation.”Journal of Physics and Chemistry of Solids 73 (2): 302-307. Kang, L., T. Liu, Q. Zhang, L. Xu, and F. Zhang. 2011.“Study of electronic structures and absorption bands of BaMgF4 crystal with F colour centre.”Chinese Physics B 20 (4). Zhang, F., and K. V. Wright. 2010.“Coupled (H+, M3+) substitutions in forsterite.”Geochimica Et Cosmochimica Acta 74: 5958-5965. Zhang, F., and A. R. Organov. 2010.“Iron silicides at pressures of the Earth’s inner core.”Geophysical Research Letters 37: 1-4. Zhang, F., A. M. Walker, K. V. Wright, and J. D. Gale. 2010.“Defects and dislocations in MgO: atomic scale models of impurity segregation and fast pipe diffusion.”Journal of Materials Chemistry 20: 10445-10451. Zhao, H., F. Zhang, X. Guo, Q. Zhang, and T. Liu. 2010.“Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom.”Journal of Physics and Chemistry of Solids 71: 1639-1643. Sun, Y., L. Chen, F. Zhang, D. Li, H. Pan, and J. Ye. 2010.“First-principles studies of HF molecule adsorption on intrinsic graphene and Al-doped graphene.”Solid State Communications 150: 1906-1910. Zhang, F., and A. R. Organov. 2006.“Mechanisms of Al3+ incorporation in MgSiO3 post-perovskite at high pressures.”Earth and Planetary Science Letters 248: 54-61. Zhang, F., and A. R. Organov. 2006.“Valence state and spin transitions of iron in Earth's mantle silicates.”Earth and Planetary Science Letters 249: 436-443.) Tao, K., Q. Zhang, T. Liu, and F. Zhang. 2005.“Origin of the 420nm Absorption Band and Effect of Doping Fluorine in PbWO4 Crystals.”Chinese Physics Letters 22 (1): 215-218. Zhang, F., Q. Zhang, T. Liu, Y. Sun, K. Tao, and J. D. Gale. 2005.“Computer simulation of intrinsic defects in MgAl2O4.”Journal of University of Shanghai for Science and Technology 27 (2): 104-106. Zhang, F., Q. Zhang, T. Liu, and K. Tao. 2005.“Computer simulation of the defect pair VPb–VO in PbWO4 crystals.”Nuclear Instruments and Methods in Physics Research B 240: 675-680. Zhang, F., Q. Zhang, Y. Sun, and K. Tao. 2005.“Influence in the absorption spectrum of PbWO4 crystal by K+ doping.”Physica B 355: 427-431.