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Special Issue:
SPECIAL TOPIC — Celebrating the 70th Anniversary of the Physics of Jilin University
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| SPECIAL TOPIC—Celebrating the 70th Anniversary of the Physics of Jilin University |
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Pressure-induced phase transition in transition metal trifluorides |
| Peng Liu(刘鹏)1,†, Meiling Xu(徐美玲)2,†, Jian Lv(吕健)1, Pengyue Gao(高朋越)1, Chengxi Huang(黄呈熙)3, Yinwei Li(李印威)2, Jianyun Wang(王建云)1,‡, Yanchao Wang(王彦超)1, and Mi Zhou(周密)1,§ |
1. State Key Laboratory of Superhard Materials & International Center for Computational Method and Software, College of Physics, Jilin University, Changchun 130012, China;
2. Laboratory of Quantum Functional Materials Design and Application, School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou 221116, China;
3. MIIT Key Laboratory of Semiconductor Microstructure and Quantum Sensing, Nanjing University of Science and Technology, Nanjing 210094, China |
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Abstract As a fundamental thermodynamic variable, pressure can alter the bonding patterns and drive phase transitions leading to the creation of new high-pressure phases with exotic properties that are inaccessible at ambient pressure. Using the swarm intelligence structural prediction method, the phase transition of TiF3, from R—3c to the Pnma phase, was predicted at high pressure, accompanied by the destruction of TiF6 octahedra and formation of TiF8 square antiprismatic units. The Pnma phase of TiF3, formed using the laser-heated diamond-anvil-cell technique was confirmed via high-pressure x-ray diffraction experiments. Furthermore, the in situ electrical measurements indicate that the newly found Pnma phase has a semiconducting character, which is also consistent with the electronic band structure calculations. Finally, it was shown that this pressure-induced phase transition is a general phenomenon in ScF3, VF3, CrF3, and MnF3, offering valuable insights into the high-pressure phases of transition metal trifluorides.
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Received: 24 January 2022
Revised: 15 February 2022
Accepted manuscript online:
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PACS:
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61.50.Ks
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(Crystallographic aspects of phase transformations; pressure effects)
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64.70.K-
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62.50.-p
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(High-pressure effects in solids and liquids)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 12034009, 91961204, and 11974134). |
Corresponding Authors:
Jianyun Wang, Mi Zhou
E-mail: wangjianyun@jlu.edu.cn;mzhou@jlu.edu.cn
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Cite this article:
Peng Liu(刘鹏), Meiling Xu(徐美玲), Jian Lv(吕健), Pengyue Gao(高朋越), Chengxi Huang(黄呈熙), Yinwei Li(李印威), Jianyun Wang(王建云), Yanchao Wang(王彦超), and Mi Zhou(周密) Pressure-induced phase transition in transition metal trifluorides 2022 Chin. Phys. B 31 106104
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