| SPECIAL TOPIC — Structures and properties of materials under high pressure |
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Novel high-temperature-resistant material SbLaO3 with superior hardness under high pressure |
| Haoqi Chen(陈浩琦)1, Haowen Jiang(姜皓文)1, Xuehui Jiang(姜雪辉)1, Jialin Wang(王佳琳)1, Chengyao Zhang(张铖瑶)1, Defang Duan(段德芳)2, Jing Dong(董晶)3,†, and Yanbin Ma(马艳斌)1,‡ |
1 School of Science, Harbin University of Science and Technology, Harbin 150080, China;
2 College of Physics, Jilin University, Changchun 130012, China;
3 School of Public Health, Mudanjiang Medical University, Mudanjiang 157011, China |
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Abstract Perovskites have garnered significant attention in recent years. However, the presence of La atoms at the $B$-site in $ABX_3$ structures has not yet been observed. Under high pressure, perovskites exhibit unexpected phase transitions. In this study, we report the discovery of SbLaO$_3$ under ambient pressure, with a space group of $R3m$. Mechanical property calculations indicate that it is a brittle material, and it possesses a band gap of 4.0266 eV, classifying it as an insulator. We also investigate the phase at 300 GPa, where the space group shifts to $P2_{1}/m$. Additionally, the $P2_{1}/m$ phase of LaInO$_3$ under 300 GPa is explored. Ab initio molecular dynamics calculations reveal that the melting point of SbLaO$_3$ is exceptionally high. The inclusion of Sb alters the electronic structure compared with LaInO$_3$, and the Vickers hardness ($H_{\rm v}$) is estimated to reach 20.97 GPa. This research provides insights into the phase transitions of perovskites under high pressure.
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Received: 30 October 2024
Revised: 25 November 2024
Accepted manuscript online: 29 November 2024
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PACS:
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62.50.-p
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(High-pressure effects in solids and liquids)
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21.60.De
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(Ab initio methods)
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02.70.Ns
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(Molecular dynamics and particle methods)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11904067). |
Corresponding Authors:
Jing Dong, Yanbin Ma
E-mail: dongjing@mdjmu.edu.cn;mayanbin@hrbust.edu.cn
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Cite this article:
Haoqi Chen(陈浩琦), Haowen Jiang(姜皓文), Xuehui Jiang(姜雪辉), Jialin Wang(王佳琳), Chengyao Zhang(张铖瑶), Defang Duan(段德芳), Jing Dong(董晶), and Yanbin Ma(马艳斌) Novel high-temperature-resistant material SbLaO3 with superior hardness under high pressure 2025 Chin. Phys. B 34 026201
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