作　　者： ;

机构地区： 韩山师范学院物理与电子工程系

出　　处： 《安徽大学学报（自然科学版）》 2011年第4期60-67,共8页

摘　　要： 依据Jahn-Teller(简写为J-T)效应理论与量子理论,利用群论和对称性分析的方法探讨具有D3 d对称性构型的B2H6分子的J-T效应及其相关问题。构建B2H6分子Eeg系统的电声耦合哈密顿量,利用么正平移变换将系统的哈密顿量分解为两部分,一部分是没有声子激发的哈密顿量,另一部分是有声子激发的哈密顿量。由此计算出Eeg系统的基态与激发态及其能量.结果表明:由于电声耦合作用的缘故,系统发生了J-T畸变,畸变导致在系统的势能面上形成了4个对称性为C2h的势阱.无论系统处在哪一个势阱中,系统原初二重简并的能级都将发生分裂,因此能级的简并性完全被消除.J-T畸变还导致B2H6分子从D3 d对称性降低到C2h对称性,同时B2H6分子的振动频率发生分解,而频率的分解致使B2H6分子的各向同性遭到破坏而呈现出各向异性. Based on Jahn-Teller effect theory and quantum theory,the Jahn-Teller effect of the E system for B2H6 molecules with D3d symmetry configuration was studied in this paper using the methods of group theory and symmetry analyses.The vibronic Hamiltonian of the E Jahn-Teller system was constructed.The Hamiltonian of the system was separated into two parts using unitary shift transformation,one part was the Hamiltonian of not having phonons excited,and the other part was the Hamiltonian of having phonons excited.From this,the ground states,excitsd states and their energy of the system in each minimum were obtained,the corresponding excited sfates their energy were also calculated.It was found that there were four potential energy minima on the potential energy surface of the system.No matter which minimum the system was in,the original ground energy level of the system was split into two energy levels and the electronic degeneracy of the system was completely lifted.The Jahn-Teller distortion resulted in that the symmetry of B2H6 molecules was lowered to C2h from D3d,and the vibration frequency of B2H6 molecules was split.The isotropy of the system was destroyed and the anisotropy should appear after the distortion.

关 键 词： 电声耦合 畸变 能级分裂 频率分解 各向异性

领　　域： [理学] [理学] [理学] [理学]