立方氧化锆中的电子-声子关联：$G_0W_0 @DFPT$方案
Correlation of electron-phonon in cubic zirconia: $G_0W_0 @DFPT$ scheme
摘要：
在冻结声子模型的基础上，采用多体微扰理论计算了立方氧化锆的间接载流子声子顶点函数。声子诱导的载流子速度和光谱重整化表示在每个单独的晶格振动模式。结果表明，对于电子-声子间接散射，光学声子起主要作用。据观察，尽管声子-声子相互作用，有一个实质性的极化字符的所有激活的晶格光学振动，这是根据以前的实验和理论发现有关的光学声子的关键作用。最终我们的结果能够讨论在光学声子存在下，小极化子到大极化子的跃迁是可能的
英文摘要：
The indirect carrier-phonon vertex function is evaluated for cubic zirconia by employing the many-body perturbation theory on top of the frozen phonon model. The phonon-induced carrier velocity and spectral renormalization are represented at each individual lattice vibronic mode. Our results show that for the indirect electron-phonon scattering, optical phonons make up the dominant contribution. It is observed that, despite the phonon-phonon interaction, there is a substantial polaronic character for all the activated lattice optical vibrations which is in accordance with the previous experimental and theoretical finding concerning the crucial role of optical phonons. Eventually our results are capable to discuss that, in the presence of optical phonons a transition between small to large polaron is probable
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