Band structure of the jahn-teller polaron from quantum monte carlo
Band structure of the jahn-teller polaron from quantum monte carlo
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量子蒙特卡罗的 jahn-teller 极化子的能带结构
DOI：
10.1103/physrevlett.84.1551
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发表时间：
2000
影响因子：
8.6
通讯作者：
Kornilovitch
中科院分区：
文献类型：
--
作者：
Kornilovitch
构造了Jahn-Teller极化子（JTP）的路径积分表示。它导致了一系列的微扰，可以通过图形量子蒙特卡罗技术准确地总结。计算了三维JTP的基态能量、有效质量、能谱和态密度，没有系统误差。JTP的能带结构与Holstein极化子的能带结构相似。JTP的质量随着耦合常数的增加而呈指数增长。在小声子频率下，JTP的谱在大动量处是平坦的，这导致了在带顶具有大质量峰的强烈畸变的态密度。
A path-integral representation for the Jahn-Teller polaron (JTP) is constructed. It leads to a perturbation series that can be summed exactly by the diagrammatic quantum Monte Carlo technique. The ground-state energy, effective mass, spectrum, and density of states of the three-dimensional JTP are calculated with no systematic errors. The band structure of JTP is found to be similar to that of the Holstein polaron. The mass of JTP increases exponentially with the coupling constant. At small phonon frequencies, the spectrum of JTP is flat at large momenta, which leads to a strongly distorted density of states with a massive peak at the top of the band.