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Properties of the exotic metastable ST12 germanium allotrope.
Nature Communications ( IF 14.7 ) Pub Date : 2017-01-03 , DOI: 10.1038/ncomms13909 Zhisheng Zhao 1, 2 , Haidong Zhang 1 , Duck Young Kim 1, 3 , Wentao Hu 2 , Emma S Bullock 1 , Timothy A Strobel 1
Nature Communications ( IF 14.7 ) Pub Date : 2017-01-03 , DOI: 10.1038/ncomms13909 Zhisheng Zhao 1, 2 , Haidong Zhang 1 , Duck Young Kim 1, 3 , Wentao Hu 2 , Emma S Bullock 1 , Timothy A Strobel 1
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The optical and electronic properties of semiconducting materials are of great importance to a vast range of contemporary technologies. Diamond-cubic germanium is a well-known semiconductor, although other 'exotic' forms may possess distinct properties. In particular, there is currently no consensus for the band gap and electronic structure of ST12-Ge (tP12, P43212) due to experimental limitations in sample preparation and varying theoretical predictions. Here we report clear experimental and theoretical evidence for the intrinsic properties of ST12-Ge, including the first optical measurements on bulk samples. Phase-pure bulk samples of ST12-Ge were synthesized, and the structure and purity were verified using powder X-ray diffraction, transmission electron microscopy, Raman and wavelength/energy dispersive X-ray spectroscopy. Optical measurements indicate that ST12-Ge is a semiconductor with an indirect band gap of 0.59 eV and a direct optical transition at 0.74 eV, which is in good agreement with electrical transport measurements and our first-principles calculations.
中文翻译：
奇异的亚稳态 ST12 锗同素异形体的特性。
半导体材料的光学和电子特性对于许多当代技术都非常重要。金刚石立方锗是一种众所周知的半导体，尽管其他“奇异”形式可能具有不同的特性。特别是，由于样品制备的实验限制和不同的理论预测，目前对 ST12-Ge (tP12, P4 3 2 1 2) 的带隙和电子结构尚未达成共识。在这里，我们报告了 ST12-Ge 固有特性的明确实验和理论证据，包括对块状样品的首次光学测量。合成了 ST12-Ge 的相纯块状样品，并使用粉末 X 射线衍射、透射电子显微镜、拉曼和波长/能量色散 X 射线光谱验证了结构和纯度。光学测量表明ST12-Ge是一种间接带隙为0.59 eV、直接光学跃迁为0.74 eV的半导体，这与电输运测量和我们的第一性原理计算非常吻合。
更新日期：2017-01-04
中文翻译：
奇异的亚稳态 ST12 锗同素异形体的特性。
半导体材料的光学和电子特性对于许多当代技术都非常重要。金刚石立方锗是一种众所周知的半导体，尽管其他“奇异”形式可能具有不同的特性。特别是，由于样品制备的实验限制和不同的理论预测，目前对 ST12-Ge (tP12, P4 3 2 1 2) 的带隙和电子结构尚未达成共识。在这里，我们报告了 ST12-Ge 固有特性的明确实验和理论证据，包括对块状样品的首次光学测量。合成了 ST12-Ge 的相纯块状样品，并使用粉末 X 射线衍射、透射电子显微镜、拉曼和波长/能量色散 X 射线光谱验证了结构和纯度。光学测量表明ST12-Ge是一种间接带隙为0.59 eV、直接光学跃迁为0.74 eV的半导体，这与电输运测量和我们的第一性原理计算非常吻合。
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