中国物理B ›› 2024, Vol. 33 ›› Issue (10): 107401-107401.doi: 10.1088/1674-1056/ad6a09
Prediction of novel layered indium halide superconductors
Zhi-Hong Yuan(袁志红)1,2, Jing-Jing Meng(孟静静)1, Rui Liu(刘瑞)1, Peng-Yu Zheng(郑鹏宇)1, and Zhi-Ping Yin(殷志平)1,3,†
- 1 School of Physics & Astronomy and Center for Advanced Quantum Studies, Beijing Normal University, Beijing 100875, China;
2 School of Physics and Information Engineering, Shanxi Normal University, Taiyuan 030031, China;
3 Key Laboratory of Multiscale Spin Physics (Ministry of Education), Beijing Normal University, Beijing 100875, China
Prediction of novel layered indium halide superconductors
Zhi-Hong Yuan(袁志红)1,2, Jing-Jing Meng(孟静静)1, Rui Liu(刘瑞)1, Peng-Yu Zheng(郑鹏宇)1, and Zhi-Ping Yin(殷志平)1,3,†
- 1 School of Physics & Astronomy and Center for Advanced Quantum Studies, Beijing Normal University, Beijing 100875, China;
2 School of Physics and Information Engineering, Shanxi Normal University, Taiyuan 030031, China;
3 Key Laboratory of Multiscale Spin Physics (Ministry of Education), Beijing Normal University, Beijing 100875, China
摘要： We design two new layered indium halide compounds LaOInF$_{2}$ and LaOInCl$_{2}$ by means of first-principles calculations and evolutionary crystal structure prediction. We find both compounds crystallize in a tetragonal structure with $P4/nmm$ space group and have indirect band gaps of 2.58 eV and 3.21 eV, respectively. By substituting O with F, both of them become metallic and superconducting at low temperature. The F-doping leads to strong electron-phonon coupling in the low-energy acoustic phonon modes which is mainly responsible for the induced superconductivity. The total electron-phonon coupling strength are 1.86 and 1.48, while the superconducting transition temperature ($T_{\rm c}$) are about 7.2 K and 6.5 K with 10% and 5% F doping for LaOInF$_{2}$ and LaOInCl$_{2}$, respectively.
中图分类号: (Occurrence, potential candidates)
- 74.10.+v