Discussion of Solid C60 Upon Lennard-Jones Potential
JIANG Zongfu, LAI Wuyan
Institute of Physics, Academia Sinica, Beijing 100080
Discussion of Solid C60 Upon Lennard-Jones Potential
JIANG Zongfu;LAI Wuyan
Institute of Physics, Academia Sinica, Beijing 100080
关键词 :
61.50.Lt ,
62.20.Dc
Abstract : The properties of solid C60 (fcc C60 ) are discussed based upon Lennard-Jones potential U(R) = ε[(σ/R)12 - (σ/R)6 ]. The magnitude of the constant ε is estimated by using the standard result of electrostatics for the interaction of two dipole moments of C60 molecules. The cohesive energy and bulk modulus of the solid fullerenes are calculated by classical theory.
Key words :
61.50.Lt
62.20.Dc
出版日期: 1992-09-01
[1]
LI Lian-He;FAN Tian-You. Final Governing Equation of Plane Elasticity of Icosahedral Quasicrystals and General Solution Based on Stress Potential Function [J]. 中国物理快报, 2006, 23(9): 2519-2521.
[2]
LI Xiao-Feng;CHEN Xiang-Rong;JI Guang-Fu;MENG Chuan-Min. Ab Initio Calculations of Elastic Constants of Li2 O under Pressure [J]. 中国物理快报, 2006, 23(4): 925-927.
[3]
LIU Yue-Wei;WANG Lu;ZHANG Han. Reconsideration of Orth I and Orth II Phases in Ln-System Superconductors [J]. 中国物理快报, 2006, 23(2): 453-455.
[4]
GAO Ning;LAI Wen-Sheng. Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials [J]. 中国物理快报, 2006, 23(11): 2913-2916.
[5]
XIAO Xing-Hong;ZHU Jun;CHEN Xiang-Rong;YANG Wei-Qing. Elastic Constants of NaCl under Pressure via First-Principles Calculations [J]. 中国物理快报, 2006, 23(10): 2845-2847.
[6]
TAN Chang-Long;CAI Wei;ZHU Jing-Chuan. First-Principles Study on Elastic Properties and Electronic Structures of Ti-Based Binary and Ternary Shape Memory Alloys [J]. 中国物理快报, 2006, 23(10): 2863-2866.
[7]
GUO Hua-Zhong;CHEN Xiang-Rong;ZHU Jun;CAI Ling-Cang;GAO Jie. First-Principles Calculations of Elastic Constants of Superconducting MgB2 [J]. 中国物理快报, 2005, 22(7): 1764-1767.
[8]
ZHENG Li-Ping;MA Yu-Gang;XU Zi-Jian;ZHU Zhi-Yuan;LI Dou-Xing. Analysis of Ni75-3x/4 Al25-x/4 Crx Grain Boundary Structures with a Double Species Model [J]. 中国物理快报, 2005, 22(6): 1484-1487.
[9]
WANG Bao-Lin;;ZHAO Ji-Jun;SHI Da-Ning;JIA Jian-Min;WANG Guang-Hou. Electronic and Elastic Properties of Helical Nickel Nanowires [J]. 中国物理快报, 2005, 22(5): 1195-1198.
[10]
LI Gong;ZHANG Xin-Yu;SUN Yi-Nan;QIAN Yu-Qing;LIU Jing;LIU Ri-Ping. Compression Behaviour of Ni77 P23 Amorphous Alloy up to 30.5GPa [J]. 中国物理快报, 2005, 22(10): 2615-2617.
[11]
LI Gong;ZHAN Zai-Ji;WANG Li-Min;SUN Li-Ling;LIU Jing;WANG Wen-Kui;. Compression Behaviour and Equation of State of Zr44.4 Nb7 Cu13.5 Ni10.8 Be24.3 Bulk Metallic Glass up to 39 GPa [J]. 中国物理快报, 2004, 21(5): 898-900.
[12]
WANG Tao;DAI Yong-Bing;OUYANG Si-Ke;WU Jian-Sheng;SHEN He-Sheng. Ab Initio Calculation of Vacancies and Interstitials in NiS2 [J]. 中国物理快报, 2004, 21(11): 2163-2166.
[13]
XIANG Shi-Kai;CAI Ling-Cang;ZHANG Lin;JING Fu-Qian;. A Calculation Approach to Elastic Constants of Crystallines
at High Pressure and Finite Temperature [J]. 中国物理快报, 2002, 19(9): 1319-1321.
[14]
ZHENG Mao-Sheng;ZHOU Gen-Shu;ZHAO Wen-Zhen;GU Hai-Cheng. Influence of Combination of Casimir Force and Residual Stress on the Behaviour of Micro- and Nano-Electromechanical Systems [J]. 中国物理快报, 2002, 19(6): 832-834.
[15]
ZHENG Li-Ping;ZHANG Hu-Yong;LI Dou-Xing;CUI Fu-Zhai. Calculation of the Griffith Cohesive Energy of the Ni3 AlBx Symmetrical Grain Boundary [J]. 中国物理快报, 2002, 19(10): 1490-1493.