摘要
根据Ｃ６０晶体的升华焓、晶胞参数和压缩系数，求得了Ｃ６０分子之间相互作用势的Ｋｉｈａｒａ形式，并且讨论了简单的Ｌｅｎｎａｒｄ－Ｊｏｎｅｓ势不能很好地描述Ｃ６０分子之间的相互作用。根据Ｃ６０分子之间相互作用势的Ｋｉｈａｒａ形式，计算了不同Ｃ６０晶型的某些性质，讨论了Ｃ６０晶体不同晶型的稳定性问题。
According to the enthalpy of subimation,lattice constant and compressibility of C_60 foc crysta,the Lennard-Jones type and Kihara type interaction potential between two C_60 molecules has been obtained.It has been discussed that the simple Lennard-Jones potential can′t describe the interaction between two C_60 molecules very well.According to the Kihara type interaction potential between two C_60 molecules,the properties of different crystal structure of C _60 have been computed,and on the base of these results the stability of different crystal structure of C_60 has been discussed.
基金
山东省自然科学基金
