Within a movable and orientable rigid rotor model, four interaction potentials of solid deuterium (hydrogen) system from combinations of two isotropic and two anistropic parts are tested by the path integral Monte Carlo method in a constant-pressure ensemble. With the best one of the potentials, the equation of state of deuterium is quantitatively in agreement with the experimental data. For understanding the quantum nature of the solid, the energies of the system at different temperatures are also calculated, the results show strong zero-point motions exist in the solid. As would be expected, the quantum corrections to both the rotational and the translational kinetic energies decrease with increasing temperature, and increase with pressure. © by Allerton Press, Inc.
Cui Tian;Zou Guang-Tian;Whaley K. B.
Chinese Physics Letters
1998
The Raman scattering in Zn
Chi Yuan-Bin;Wang Li-Zhong;Li Yan-Mei;Zou Guang-Tian;Li Wen-Sen;Fan Xi-Wu;Yang Bao-Jun
Chinese Physics Letters
1998
Structure phase transitions of Ba
Han J.;Zou G.;Zhao Y.
Solid State Communications
1999
Nanosized chromium disilicide (CrSi
Lu Jinshan;Yang Haibin;Liu Bingbing;Han Jie;Zou Guangtian
Materials Chemistry and Physics
1999
The behaviors of ferroelectric KNbO
Kobayashi Y.;Endo S.;Ashida T.;Deguchi K.;Ming L. C.;Kikegawa T.;Zou G.
Journal of the Korean Physical Society
1999
Semiconducting chromium disilicide (CrSi
Cui Qiliang;Yang Haibin;Liu Bingbing;Zou Guangtian;Lu Jinshan
Materials Letters
1999
Ta/anodized Ta
Liu Hong-Wu;Gao Chun-Xiao;Hui Wang;Cui Qi-Liang;Zou Guang-Tian;Huang Xi-Min
Chinese Physics Letters
1999
The E-BN film named after the method by which it is obtained (E=Explosion). During the BN film deposition, a model of phase transition from E-BN to c-BN was suggested and then the c-BN nucleation during the deposition can be explained by this model. The film has very good adhesion due to the phase transition.
Zhu Pinwen;Zhao Yongnian;Zou Guangtian;He Zhi
Gaoya Wuli Xuebao Chinese Journal of High Pressure Physics
2000
The in situ behavior of distorted perovskite La
Wang X.;Pan Y. W.;Cui Q. L.;Zhang J.;Gao W.;Zou G. T.
Journal of Solid State Chemistry
2001
Nanoparticles of γ-Fe
Wang Qun;Shi Jianlin;Yang Haibin;Zou Guangtian
Materials Research Bulletin
2001