Tunable phase transitions and high photovoltaic performance of two-dimensional In2Ge2Te6 semiconductors,Nanoscale Horizons

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Tunable phase transitions and high photovoltaic performance of two-dimensional In2Ge2Te6 semiconductors
Nanoscale Horizons ( IF 8.0 ) Pub Date : 2020-10-13 , DOI: 10.1039/d0nh00395f
Naihua Miao _{1,

2,

3,

4,

5} , Wei Li _{1,

2,

3,

4} , Linggang Zhu _{1,

2,

3,

4} , Bin Xu _{4,

6,

7,

8} , Jian Zhou _{1,

2,

3,

4} , Stephen R. Elliott _{1,

2,

3,

4,

5} , Zhimei Sun _{1,

2,

3,

4,

5}

Affiliation

Ultrathin semiconductors with great electrical and photovoltaic performance hold tremendous promise for fundamental research and applications in next-generation electronic devices. Here, we report new 2D direct-bandgap semiconductors, namely mono- and few-layer In₂Ge₂Te₆, with a range of desired properties from ab initio simulations. We suggest that 2D In₂Ge₂Te₆ samples should be highly stable and can be experimentally fabricated by mechanical exfoliation. They are predicted to exhibit extraordinary optical absorption and high photovoltaic conversion efficiency (≥31.8%), comparable to the most efficient single-junction GaAs solar cell. We reveal that, thanks to the presence of van Hove singularities in the band structure, unusual quantum-phase transitions could be induced in monolayers via electrostatic doping. Furthermore, taking bilayer In₂Ge₂Te₆ as a prototypical system, we demonstrate the application of van der Waals pressure as a promising strategy to tune the electronic and stacking property of 2D crystals. Our work creates exciting opportunities to explore various quantum phases and atomic stacking, as well as potential applications of 2D In₂Ge₂Te₆ in future nanoelectronics.

中文翻译：

二维In2Ge2Te6半导体的可调相变和高光伏性能

具有出色的电气和光伏性能的超薄半导体在下一代电子设备的基础研究和应用中具有广阔的前景。在这里，我们报道了新的2D直接带隙半导体，即单层和多层In ₂ Ge ₂ Te ₆，具有从头算模拟的一系列所需特性。我们建议2D In ₂ Ge ₂ Te ₆样品应该是高度稳定的，并且可以通过机械剥落实验性地制造。与最有效的单结GaAs太阳能电池相比，它们预计将展现出非凡的光吸收能力和较高的光伏转换效率（≥31.8％）。我们揭示出，由于能带结构中存在van Hove奇异点，通过静电掺杂可以在单分子层中诱发异常的量子相变。此外，采用双层In ₂ Ge ₂ Te ₆作为原型系统，我们证明了范德华压力的应用是一种有前景的策略，可用来调节2D晶体的电子和堆叠特性。我们的工作为探索各种量子相和原子堆叠以及2D In ₂ Ge ₂ Te ₆在未来纳米电子学中的潜在应用创造了令人兴奋的机会。

更新日期：2020-11-03

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