中国物理B ›› 2025, Vol. 34 ›› Issue (2): 26201-026201.doi: 10.1088/1674-1056/ad989e
所属专题： SPECIAL TOPIC — Structures and properties of materials under high pressure
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
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
摘要： 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.
中图分类号: (High-pressure effects in solids and liquids)
- 62.50.-p