非对角耦合极化子输运的Munn-Silbey方法
On the Munn-Silbey approach to polaron transport with off-diagonal coupling
摘要:
改进的结果,使用类似的Munn-Silbey方法的方法已经获得了对温度的依赖性的扩展的Holstein模型,将同时对角和非对角激子-声子耦合的输运性质。通过正则变换将哈密顿量部分对角化,并以自洽的方式确定最佳变换系数。计算出的输运性质表现出大量的修正以前获得的Munn和Silbey的温度范围很广,由于一个数值精确的评估和增加的动量依赖的变换矩阵。在中等和弱耦合制度的扩散系数的结果显示出明显的带状和跳跃状的输运功能作为温度的函数。
英文摘要:
Improved results using a method similar to the Munn-Silbey approach have been obtained on the temperature dependence of transport properties of an extended Holstein model incorporating simultaneous diagonal and off-diagonal exciton-phonon coupling. The Hamiltonian is partially diagonalized by a canonical transformation, and optimal transformation coefficients are determined in a self-consistent manner. Calculated transport properties exhibit substantial corrections on those obtained previously by Munn and Silbey for a wide range of temperatures thanks to a numerically exact evaluation and an added momentum-dependence of the transformation matrix. Results on the diffusion coefficient in the moderate and weak coupling regime show distinct band-like and hopping-like transport features as a function of temperature.
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