Pressure-Induced Suppression of Jahn–Teller Distortion and Optical-Optoelectronic Evolution in Distorted Perovskite TeCuO<sub>3</sub>
Perovskite oxides (ABO3) exhibit structural flexibility and diverse properties, yet studies of highly distorted variants under high pressure (HP) remain scarce. Here, we synthesized the distorted perovskite TeCuO3, which is characterized by octahedral tilting, Jahn–Teller (JT) distortion, and G-type antiferromagnetism (AFM). Using in situ HP synchrotron single-crystal X-ray diffraction (SCXRD), Raman and absorption spectroscopy, photocurrent measurements, and first-principles calculations, we examined its structural, optical, and optoelectronic properties up to 45.9 GPa. TeCuO3 maintains its Pnma symmetry but undergoes a magnetic transition from G- to A-type AFM at ∼1.7 GPa. Pressure suppresses CuO6 tilting and JT distortion due to the stereochemical activity of Te4+ lone pairs, with equatorial JT distortion vanishing at 25 GPa. These changes drive a reversible piezochromic shift from light-colored to opaque black, attributed to a red-shifted p–d transition merging with d–d absorption. Notably, the optoelectronic response intensifies by 50% at 47 GPa. These findings provide insight into the HP evolution of distorted perovskites and highlight the potential of TeCuO3 for pressure-tunable optoelectronic applications.
Authors
- Y. Liang (ORCID: https://orcid.org/0000-0002-3854-245X)
- Shijing Zhao (ORCID: https://orcid.org/0000-0002-3955-4372)
- Yehua Huang
- Mohamed Mézouar (ORCID: https://orcid.org/0000-0001-5336-544X)
- Huiyang Gou (ORCID: https://orcid.org/0000-0002-2612-4314)
- Tao Gan (ORCID: https://orcid.org/0009-0006-6755-1263)
- Qingao Zhao
- João Elias F. S. Rodrigues (ORCID: https://orcid.org/0000-0002-9220-5809)
- Jiong Li (ORCID: https://orcid.org/0000-0002-3742-630X)
- Xinyu Wang (ORCID: https://orcid.org/0000-0003-0418-6503)
- Yu Chen (ORCID: https://orcid.org/0000-0001-8942-0420)
- Jian Zhang (ORCID: https://orcid.org/0000-0002-1725-0466)
- Shuo Zhang
- Yu Zhong (ORCID: https://orcid.org/0000-0001-8311-078X)
- Jun Deng (ORCID: https://orcid.org/0000-0002-2881-9689)
- Z. H. Guo (ORCID: https://orcid.org/0009-0000-5502-0170)
- Wenju Zhou
- Donghan Jia
Institutions
- Shandong University (CN)
- Chinese Academy of Sciences (CN)
- European Synchrotron Radiation Facility (FR)
- Shanghai Advanced Research Institute (CN)
- Advanced Research Institute (US)
- Center for High Pressure Science and Technology Advanced Research (CN)
- State Key Laboratory of Crystal Materials
Publication Details
- Journal
- The Journal of Physical Chemistry C
- Published
- 2025-06-16
- DOI
- https://doi.org/10.1021/acs.jpcc.5c01090
- Primary Topic
- Perovskite Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Shandong Province
- National Science Fund for Distinguished Young Scholars