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Chin. Phys. B, 2025, Vol. 34(6): 066205    DOI: 10.1088/1674-1056/adcaa2
SPECIAL TOPIC — Structures and properties of materials under high pressure Prev   Next  

Band gap engineering and vibrational properties of van der Waals semiconductor ZnPSe3 under compression

Rouqiong Su(苏柔琼)1,†, Yuying Li(李玉莹)1,†, Chunhua Chen(陈春华)2, Yifang Yuan(袁亦方)1,‡, and Haizhong Guo(郭海中)1,3,§
1 Key Laboratory of Material Physics of Ministry of Education, School of Physics, Zhengzhou University, Zhengzhou 450001, China;
2 Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai 201203, China;
3 Institute of Quantum Materials and Physics, Henan Academy of Sciences, Zhengzhou 450046, China
Abstract  In recent years, transition metal phosphorus trichalcogenides MPX3 (M= transition metal, X= S, Se) have garnered significant attention in the field of two-dimensional van der Waals materials on account of their unique layered structures and diverse physical properties. In this work, we systematically investigated the vibrational modes and band gap evolution of ZnPSe3 under extreme conditions using Raman spectroscopy and high-pressure ultraviolet-visible (UV-vis) absorption spectroscopy. The experimental results demonstrate that the vibrational modes of ZnPSe3 remain stable at low temperatures (5-300 K) and high pressures (0-22.1 GPa). Notably, the band gap of ZnPSe3 exhibits an initial increase followed by a decrease under pressures ranging from 0 to 20.6 GPa, which is likely associated with a pressure-induced transition from an indirect to a direct band gap. This work not only enriches the understanding of van der Waals materials but also provides crucial experimental insights for their application in band gap engineering.
Keywords:  high pressure      band gap engineering      Raman spectroscopy      ZnPSe3  
Received:  27 February 2025      Revised:  05 April 2025      Accepted manuscript online:  09 April 2025
PACS:  62.50.-p (High-pressure effects in solids and liquids)  
  78.30.-j (Infrared and Raman spectra)  
  78.40.-q (Absorption and reflection spectra: visible and ultraviolet)  
Fund: Project supported by the National Key Research and Development Program of China (Grant Nos. 2021YFA1400204 and 2021YFA0718701) and the National Natural Science Foundation of China (Grant Nos. 12204420, 12474021, and 12174347).
Corresponding Authors:  Yifang Yuan, Haizhong Guo     E-mail:  yfyuan@zzu.edu.cn;hguo@zzu.edu.cn

Cite this article: 

Rouqiong Su(苏柔琼), Yuying Li(李玉莹), Chunhua Chen(陈春华), Yifang Yuan(袁亦方), and Haizhong Guo(郭海中) Band gap engineering and vibrational properties of van der Waals semiconductor ZnPSe3 under compression 2025 Chin. Phys. B 34 066205

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