Abstract： A new model of potential energy functions for atomic solids is given and applied to diamond and α-tin crystals. In the new model, a factor expressing the characters of covalent bonds has been included. Therefore it is suitable for covalent crystals. New pontentials of C and α-Sn crystals accurately reproduce experimental elastic constants and phonon dispersion curves and so on. The set of new potentials is accurate enough for computer simulations.
LIU Xin-hou;ZHEN Zhen;ZHANG Jian-cheng. New Potential Energy Functions for Diamond and α-Tin Crystals[J]. 中国物理快报, 1998, 15(5): 360-361.
LIU Xin-hou, ZHEN Zhen, ZHANG Jian-cheng. New Potential Energy Functions for Diamond and α-Tin Crystals. Chin. Phys. Lett., 1998, 15(5): 360-361.
1998, Vol. 15 
