Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
ACS Appl Mater Interfaces. 2023 Mar 29;15(12):15668-15675. doi: 10.1021/acsami.2c22134. Epub 2023 Mar 15.
We describe the unusual properties of γ-SnSe, a new orthorhombic binary phase in the tin monoselenide system. This phase exhibits an ultranarrow band gap under standard pressure and temperature conditions, leading to high conductivity under ambient conditions. Density functional calculations identified the similarity and difference between the new γ-SnSe phase and the conventional α-SnSe based on the electron localization function. Very good agreement was obtained for the band gap width between the band structure calculations and the experiment, and insight provided for the mechanism of reduction in the band gap. The unique properties of this material may render it useful for applications such as thermal imaging devices and solar cells.
我们描述了γ-SnSe 的不寻常性质,这是锡单硒化物系统中的一种新的正交二元相。在标准压力和温度条件下,该相具有极窄的带隙,导致在环境条件下具有高电导率。密度泛函计算基于电子局域函数确定了新的γ-SnSe 相和传统的α-SnSe 之间的相似性和差异。能带结构计算和实验之间的带隙宽度非常吻合,为带隙减小的机制提供了深入的了解。这种材料的独特性质可能使其在热成像设备和太阳能电池等应用中具有价值。