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Enhanced spectral response of semiconducting BaSi2 films by oxygen incorporation

机译：掺入氧可增强半导体BaSi2薄膜的光谱响应

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摘要

We investigated the effect of the incorporation of O atoms into BaSi2 films on their photoresponse properties. BaSi2 films with higher O concentration exhibited higher photoresponsivity. Time-of-flight secondary ion mass spectrometry measurements showed that the O atoms were uniformly distributed in the BaSi2 films, in contrast to our prediction that they would be mostly located around grain boundaries. First-principles calculations revealed that the O atoms occupy the interstitial sites known as the 4c sites rather than substitutional sites. Moreover, they do not create localized stateswithin the forbidden band gap, which indicates that O atoms incorporated into BaSi2 are inactive. (C) 2017 Elsevier B.V. All rights reserved.
机译：我们研究了将O原子掺入BaSi2薄膜对其光响应特性的影响。 O浓度较高的BaSi2薄膜具有较高的光响应性。飞行时间二次离子质谱仪测量表明，O原子均匀分布在BaSi2薄膜中，这与我们的预测相反，即它们主要位于晶界附近。第一性原理计算表明，O原子占据了被称为4c位的填隙位点，而不是取代位点。而且，它们没有在禁带隙内产生局部状态，这表明掺入BaSi 2中的O原子是无活性的。 （C）2017 Elsevier B.V.保留所有权利。

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