Metal-induced gap states in passivating metal/silicon contacts
Metal-induced gap states in passivating metal/silicon contacts
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DOI：
10.1063/1.5066423
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发表时间：
2019-02-18
影响因子：
4
通讯作者：
De Wolf, Stefaan
中科院分区：
文献类型：
--
作者：
Sajjad, Muhammad;Yang, Xinbo;De Wolf, Stefaan
钝化金属/硅接触联合收割机结合了低载流子复合与低接触电阻率，这是通过在它们的界面处的低隙态密度实现的。这种接触在高效太阳能电池中得到应用。我们进行第一性原理计算的基础上的密度泛函理论研究的表面缺陷和金属诱导的间隙态密度的硅与金属（铝和银）紧密接触。我们证实，表面氢化完全消除（111）取向的硅表面的表面缺陷的间隙状态。然而，金属诱导的间隙态密度显着增加时，金属是更接近于0.5 nm到这样的表面。这些结果突出了隧道膜厚度在实现有效的钝化接触形成的重要性。由AIP Publishing授权出版。
Passivating metal/silicon contacts combine low carrier recombination with low contact resistivities, enabled by a low gap state density at their interface. Such contacts find applications in high-efficiency solar cells. We perform first-principles calculations based on density functional theory to investigate the surface defect and metal-induced gap state density of silicon in close contact with metals (Al and Ag). We confirm that surface hydrogenation fully removes surface-defect gap states of (111)-oriented silicon surfaces. However, the metal-induced gap state density increases significantly when metals are closer than 0.5 nm to such surfaces. These results highlight the importance of the tunneling-film thickness in achieving effective passivating-contact formation. Published under license by AIP Publishing.