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arXiv 2011.02262cond-mat.mtrl-sciphysics.app-ph
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从异常低的硅空穴迁移率看高空穴迁移率材料的设计原则

Materials design principles towards high hole mobility learning from an abnormally low hole mobility of silicon

Q. L. Yang, H. X. Deng, S. H. Wei, S. S. Li, J. W. Luo

摘要:

Si在半导体工业材料中占主导地位,但具有异常低的室温空穴迁移率(505 cm^2/Vs),其比周期表中第IV族列中的两个相邻邻居金刚石和Ge(2000 cm^2/Vs)低四倍。在过去的半个世纪里,人们已经做出了广泛的努力来克服由Si中的低迁移率引起的Si技术的挑战。然而,对基本机制的基本理解仍然缺乏。在这里,我们从理论上再现了传统的IV族和III-V族半导体的实验数据,而不涉及可调参数,通过治疗经典模型的缺点。我们发现,异常低的空穴迁移率在Si起源于其弱的自旋轨道耦合导致的强带间散射和光学声子的强烈参与空穴-声子散射的组合。相反,Ge中强的自旋-轨道耦合导致可以忽略的带间散射;金刚石中强的键和轻原子质量引起高的光学声子频率,阻止它们参与散射。基于这些理解植根于基本的原子性质,我们提出了设计原则,半导体材料走向高空穴迁移率。

英文摘要:

Si dominates the semiconductor industry material but possesses an abnormally low room temperature hole mobility (505 cm^2/Vs), which is four times lower than that of Diamond and Ge (2000 cm^2/Vs), two adjacent neighbours in the group IV column in the Periodic Table. In the past half-century, extensive efforts have been made to overcome the challenges of Si technology caused by low mobility in Si. However, the fundamental understanding of the underlying mechanisms remains lacking. Here, we theoretically reproduce the experimental data for conventional group IV and III-V semiconductors without involving adjustable parameters by curing the shortcoming of classical models. We uncover that the abnormally low hole mobility in Si originating from a combination of the strong interband scattering resulting from its weak spin-orbit coupling and the intensive participation of optical phonons in hole-phonon scattering. In contrast, the strong spin-orbit coupling in Ge leads to a negligible interband scattering; the strong bond and light atom mass in diamond give rise to high optical phonons frequency, preventing their participation in scattering. Based on these understandings rooted into the fundamental atomic properties, we present design principles for semiconducting materials towards high hole mobility.

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