Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems
Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems
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DOI：
10.1103/physrevb.94.201407
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发表时间：
2016-09
影响因子：
3.7
通讯作者：
C. Schinabeck;A. Erpenbeck;R. Härtle;M. Thoss
中科院分区：
文献类型：
--
作者：
C. Schinabeck;A. Erpenbeck;R. Härtle;M. Thoss
在分级量子主方程（HQME）框架内，提出了一种方法，它允许在数值上精确描述具有强电子-振动耦合的纳米系统中的非平衡电荷输运。该方法被施加到一个通用模型的振动耦合运输考虑广泛的参数范围从非绝热制度，包括共振和非共振运输。我们表明，非平衡效应是重要的，在所有这些制度。特别是在非共振输运制度，非弹性共隧穿信号分析的振动模式在完全非平衡，揭示了复杂的相互作用的不同的运输过程和偏离常用的G_0/2$拇指规则。此外，HQME方法被用来基准近似主方程和非平衡绿色函数方法。
Within the hierarchical quantum master equation (HQME) framework, an approach is presented, which allows a numerically exact description of nonequilibrium charge transport in nanosystems with strong electronic-vibrational coupling. The method is applied to a generic model of vibrationally coupled transport considering a broad spectrum of parameters ranging from the nonadiabatic to the adiabatic regime and including both resonant and off-resonant transport. We show that nonequilibrium effects are important in all these regimes. In particular in the off-resonant transport regime, the inelastic co-tunneling signal is analyzed for a vibrational mode in full nonequilibrium, revealing a complex interplay of different transport processes and deviations from the commonly used $G_0/2$-thumb-rule. In addition, the HQME-approach is used to benchmark approximate master equation and nonequilibrium Green's function methods.