Pressure-induced evolution of structure and electronic property of GeP
Pressure-induced evolution of structure and electronic property of GeP
复制标题
DOI：
10.1063/5.0086327
复制
发表时间：
2022-04
影响因子：
3.2
通讯作者：
Yajun Tao;Shiyu Xie;Teng Lu;Chuan-Shan Hu;Hengjie Liu;Huanjun Zhang;Xuerui Cheng;Miao Liu;
中科院分区：
文献类型：
--
作者：
Yajun Tao;Shiyu Xie;Teng Lu;Chuan-Shan Hu;Hengjie Liu;Huanjun Zhang;Xuerui Cheng;Miao Liu;
单斜晶半导体GeP是一类新型IV-V族层状材料，它表现出有吸引力的各向异性光学和电子特性。在本文中，我们利用原位 X 射线衍射、拉曼和红外光谱以及密度泛函理论研究了层状 GeP 在压力下的结构和电子演化。所有表征方法都表明压力引起两个明显的相变。在 6 GPa 附近观察到一种同构转变。高于 21 GPa，会发生另一种晶体到非晶态的转变。值得注意的是，压力释放后，高压非晶态可以在环境条件下保持。此外，压力引起的吸收边缘红移表明其带隙随着压力而减小。这一结果表明压力对GeP有显着影响。同时，它还提供了一种获得非晶态GeP的方法，这种非晶态GeP作为一种潜在的锂离子电池负极材料引起了储能界的兴趣。
The monoclinic semiconductor GeP is a new class of Group IV–V layered material, and it shows attractive anisotropic optical and electronic properties. In this paper, we investigate the structural and electronic evolution of layered GeP under pressure, using in situ x-ray diffraction, Raman and infrared spectra, and the density functional theory. All characterization methods reveal that the pressure causes two obvious phase changes. One isostructural transition is observed around 6 GPa. Above 21 GPa, another crystalline-to-amorphous transformation is obtained. It is worth noting that the high-pressure amorphous state can be retained at ambient conditions after the pressure is released. In addition, the pressure-induced red-shift of absorbance edge suggests its bandgap decreases with pressure. This result indicates that pressure has a significant effect on GeP. Meanwhile, it also provides a method for obtaining amorphous GeP, which is of interest to the energy storage community as it is a potential anode material for lithium-ion batteries.