Effect of dopant-induced local vibration modes on pressure-driven structural phase transition in Mn- and Co-doped ZnO

Chih-Ming Lin; Yi-Jia Tsai; Yi-Sheng Huang; Chia-Hung Hsu; Bo-Shiuan Chen; Ming-Fong Tai; Sheng-Rui Jian; Jenh-Yih Juang

doi:10.1016/j.isci.2025.112560

Effect of dopant-induced local vibration modes on pressure-driven structural phase transition in Mn- and Co-doped ZnO

iScience. 2025 May 2;28(6):112560. doi: 10.1016/j.isci.2025.112560. eCollection 2025 Jun 20.

Authors

Chih-Ming Lin¹, Yi-Jia Tsai¹, Yi-Sheng Huang¹, Chia-Hung Hsu¹, Bo-Shiuan Chen¹, Ming-Fong Tai¹, Sheng-Rui Jian^{2

3}, Jenh-Yih Juang⁴

Affiliations

¹ Department of Physics, National Tsing Hua University, Hsinchu 300, Taiwan.
² Department of Materials Science and Engineering, I-Shou University, Kaohsiung 84001, Taiwan.
³ Department of Fragrance and Cosmetic Science, College of Pharmacy, Kaohsiung Medical University, 100 Shi-Chuan 1st Road, Kaohsiung 80708, Taiwan.
⁴ Department of Electrophysics, National Yang Ming Chiao Tung University, Hsinchu 300, Taiwan.

Abstract

In-situ laser Raman spectroscopy was performed on pristine ZnO, Zn_0.98Mn_0.02O, and Zn_0.98Co_0.02O at pressures up to 18.6, 18.4, and 13.1 GPa, respectively, to explore how minute amount of Mn- and Co-doping affects the high-pressure wurtzite-to-rocksalt transition in ZnO. Pristine ZnO exhibited characteristic wurtzite phonon modes, whereas Mn- and Co-doping introduced distinct local vibrational modes that shifted differently under compression. These shifts revealed that Zn_0.98Mn_0.02O undergoes a unique phase transition path compared to pristine and Co-doped ZnO. By connecting local vibrational features to structural evolution at high pressures, this study demonstrates the capability of Raman spectroscopy to detect doping-induced changes in lattice dynamics. These insights advance our understanding of how local lattice effects influence phase transitions and guide the design of ZnO-based materials with tunable properties for optoelectronic and high-pressure applications.

Keywords: Chemistry; Materials property; Materials science; Physics.