论文标题

从头算理论的自由载体吸收在半导体中

Ab initio theory of free-carrier absorption in semiconductors

论文作者

Zhang, Xiao, Shi, Guangsha, Leveillee, Joshua A., Giustino, Feliciano, Kioupakis, Emmanouil

论文摘要

自由载体在半导体中的光吸收导致所有光子波长的光损。由于自由载体吸收与整个带隙之间的光学转变竞争,因此它还降低了光电设备(例如太阳能电池)的效率,因为它不会产生电子孔对。在这项工作中,我们考虑了单粒子激发和集体drude术语的自由载体吸收的第一原理理论,我们证明了其对掺杂的SI案例的应用。我们确定自由载体吸收系数是载体浓度的函数,并与实验数据获得了极好的一致性。我们确定在各种光子波长下有助于自由载体吸收的主要过程,并分析结果以评估该损耗机制对基于SI基的光电设备效率的影响。

The absorption of light by free carriers in semiconductors results in optical loss for all photon wavelengths. Since free-carrier absorption competes with optical transitions across the band gap, it also reduces the efficiency of optoelectronic devices such as solar cells because it does not generate electron-hole pairs. In this work, we develop a first-principles theory of free-carrier absorption taking into account both single-particle excitations and the collective Drude term, and we demonstrate its application to the case of doped Si. We determine the free-carrier absorption coefficient as a function of carrier concentration and we obtain excellent agreement with experimental data. We identify the dominant processes that contribute to free-carrier absorption at various photon wavelengths, and analyze the results to evaluate the impact of this loss mechanism on the efficiency of Si-based optoelectronic devices.

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