journal article·2022-05-10Open access

Concurrent Pressure-Induced Spin-State Transitions and Jahn–Teller Distortions in MnTe

Pei Wang, Sheng-Cai Zhu, Yongtao Zou, Haiyan Chen, Ying Liu, Weiwei Li, Jian Chen, Jinlong Zhu, Liusuo Wu, Shanmin Wang, Wenge Yang, Yuming Xiao, Paul Chow, Liping Wang, Yusheng Zhao

Chemistry of Materials· Volume 34· Issue 9

Abstract

Cooperative Jahn–Teller (JT) distortion accompanied by electromagnetic lattice coupling plays a crucial role in numerous important phenomena in materials science. The JT distortion occurring in high-spin 3d4 and 3d9 configurations in octahedral complexes is common, but similarly, large distortion due to lifting the degeneracy of t2g orbitals has so far seldomly been observed. Here, we report the discovery of the pressure-induced cooperative JT effect coupled with a large volume collapse of ∼12.8% and a magnetic moment collapse from S = 5/2 to S = 1/2 at ∼20.9 GPa in MnTe. The first-principles calculation indicates that weakened p–d hybridization and enhanced d state localization result in lifting t2g orbital degeneracy in Mn2+ (d5), which induced a cooperative JT effect-triggered electromagnetic lattice coupling. These findings suggest a new mechanism for the cooperative JT distortion via pressure-induced ligand distortion in antiferromagnetic materials.
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Research context

OpenAlex topics: Magnetic and transport properties of perovskites and related materials · Inorganic Chemistry and Materials · Rare-earth and actinide compounds

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology (SUSTech), Shenzhen 518055, P. R. China

Department of Physics, Southern University of Science and Technology (SUSTech), Shenzhen 518055, P. R. China

School of Materials, Shenzhen Campus of Sun Yat-sen University, Shenzhen 518107, P. R. China

Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology, College of Engineering Physics, and Center for Advanced Material Diagnostic Technology, Shenzhen Technology University, Shenzhen 518118, P. R. China

Mineral Physics Institute, Stony Brook University, Stony Brook, New York 11794, United States

Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing 100094, P. R. China

High Pressure Collaborative Access Team, X-Ray Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States

Funding

Guangdong Province Introduction of Innovative R&D Team · Science, Technology and Innovation Commission of Shenzhen Municipality · Development and Reform Commission of Shenzhen Municipality · National Natural Science Foundation of China · Shenzhen Peacock Plan

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