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Chin. Phys. B, 2022, Vol. 31(7): 076101    DOI: 10.1088/1674-1056/ac6db8

Structural evolution and bandgap modulation of layered β-GeSe2 single crystal under high pressure

Hengli Xie(谢恒立)1, Jiaxiang Wang(王家祥)1, Lingrui Wang(王玲瑞)1, Yong Yan(闫勇)2, Juan Guo(郭娟)1, Qilong Gao(高其龙)1, Mingju Chao(晁明举)1, Erjun Liang(梁二军)1, and Xiao Ren(任霄)1,†
1 Key Laboratory of Materials Physics of Ministry of Education, School of Physics and Microelectronics, Zhengzhou University, Zhengzhou 450052, China;
2 College of Physics and Materials Science, Henan Normal University, Xinxiang 453007, China
Abstract  Germanium diselenide (GeSe2) is a promising candidate for electronic devices because of its unique crystal structure and optoelectronic properties. However, the evolution of lattice and electronic structure of $β$-GeSe2 at high pressure is still uncertain. Here we prepared high-quality $β$-GeSe2 single crystals by chemical vapor transfer (CVT) technique and performed systematic experimental studies on the evolution of lattice structure and bandgap of $β$-GeSe2 under pressure. High-precision high-pressure ultra low frequency (ULF) Raman scattering and synchrotron angle-dispersive x-ray diffraction (ADXRD) measurements support that no structural phase transition exists under high pressure up to 13.80 GPa, but the structure of $β$-GeSe2 turns into a disordered state near 6.91 GPa and gradually becomes amorphous forming an irreversibly amorphous crystal at 13.80 GPa. Two Raman modes keep softening abnormally upon pressure. The bandgap of $β$-GeSe2 reduced linearly from 2.59 eV to 1.65 eV under pressure with a detectable narrowing of 36.5%, and the sample under pressure performs the piezochromism phenomenon. The bandgap after decompression is smaller than that in the atmospheric pressure environment, which is caused by incomplete recrystallization. These results enrich the insight into the structural and optical properties of $β$-GeSe2 and demonstrate the potential of pressure in modulating the material properties of two-dimensional (2D) Ge-based binary material.
Keywords:  high pressure      structural phase transition      Raman spectroscopy scattering      layered material  
Received:  28 March 2022      Revised:  03 May 2022      Accepted manuscript online:  07 May 2022
PACS:  61.50.Ks (Crystallographic aspects of phase transformations; pressure effects)  
  07.35.+k (High-pressure apparatus; shock tubes; diamond anvil cells)  
  78.30.-j (Infrared and Raman spectra)  
  63.22.Np (Layered systems)  
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 12004339, 11874328, 11904322, 61804047, 22071221, and 21905252), China Postdoctoral Science Foundation (Grant Nos. 2018M640679 and 2019T120629), and the Zhongyuan Academician Foundation (Grant No. ZYQR201810163).
Corresponding Authors:  Xiao Ren     E-mail:

Cite this article: 

Hengli Xie(谢恒立), Jiaxiang Wang(王家祥), Lingrui Wang(王玲瑞), Yong Yan(闫勇), Juan Guo(郭娟), Qilong Gao(高其龙), Mingju Chao(晁明举), Erjun Liang(梁二军), and Xiao Ren(任霄) Structural evolution and bandgap modulation of layered β-GeSe2 single crystal under high pressure 2022 Chin. Phys. B 31 076101

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