论文标题
完全耦合的\ textit {ab intio} boltzmann形式主义的电子 - phonon阻力增强运输属性
Electron-phonon drag enhancement of transport properties from fully coupled \textit{ab initio} Boltzmann formalism
论文作者
论文摘要
我们通过对完全耦合的电子和声子Boltzmann传输方程进行\ textIt {ab intio}计算，对电子和声子的非平衡动力学以及电子和声子传输的联合处理。我们发现，两个载体之间存在相互阻力的存在会导致热电图的增强和主导，而不是像传统半导体图片中的电子子的传输，而不是电子的传输。阻力还强烈提高了固有的电子迁移率，导热率和洛伦兹的数量。杂质散射被认为是抑制热电导率和电导电导率的阻力增强，同时对洛伦兹数量和热电器的增强产生较弱的影响。我们在\ textIt {n}的3C-SIC中在室温下演示了这些效果，并解释了它们的起源。这项工作确立了微观散射机制在相互作用电子气体运输中出现强阻力效应中的作用。
We present a combined treatment of the non-equilibrium dynamics and transport of electrons and phonons by carrying out \textit{ab initio} calculations of the fully coupled electron and phonon Boltzmann transport equations. We find that the presence of mutual drag between the two carriers causes the thermopower to be enhanced and dominated by the transport of phonons, rather than electrons as in the traditional semiconductor picture. Drag also strongly boosts the intrinsic electron mobility, thermal conductivity and the Lorenz number. Impurity scattering is seen to suppress the drag-enhancement of the thermal and electrical conductivities, while having weak effects on the enhancement of the Lorenz number and thermopower. We demonstrate these effects in \textit{n}-doped 3C-SiC at room temperature, and explain their origins. This work establishes the roles of microscopic scattering mechanisms in the emergence of strong drag effects in the transport of the interacting electron-phonon gas.
