Fermi Rubik's Cube in High-Pressure Induced Chlorine-Rich Compounds

孔君 ¹苏磊 ²崔海旭 ³丁海芮 ⁴侯晶钰 ⁴迟春霞 ⁴刘诗洋 ⁴周向锋 ⁵王慧田 ⁶董校⁴

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作者信息

1. Key Laboratory of Weak-Light Nonlinear Photonics and School of Physics,Nankai University,Tianjin 300071,China;Center for High Pressure Science and Technology Advanced Research,Beijing 100093,China
2. Center for High Pressure Science and Technology Advanced Research,Beijing 100093,China;Key Laboratory of Photochemistry,Institute of Chemistry,University of Chinese Academy of Sciences,Chinese Academy of Sciences,Beijing 100190,China
3. College of Physics and Materials Science,Tianjin Normal University,Tianjin 300387,China
4. Key Laboratory of Weak-Light Nonlinear Photonics and School of Physics,Nankai University,Tianjin 300071,China
5. Center for High Pressure Science,State Key Laboratory of Metastable Materials Science and Technology,School of Science,Yanshan University,Qinhuangdao 066004,China
6. National Laboratory of Solid State Microstructures,School of Physics,and Collaborative Innovation Center of Advanced Microstructures,Nanjing University,Nanjing 210093,China
折叠

Abstract

In the quasi-free electron model,the Fermi surface spreads into a sphere in the Brillouin zone,i.e.,the Fermi sphere.The Fermi sphere exists widely in metal systems,no matter whether the crystal is in a body-center cubic,face-center cubic,or hexagonal close-packed lattice.Here,we report a class of compounds stabilized at high pressure with Rubik's cubic Fermi surface,in which the representative example is Pm3n-CaCl3.Our quantum-mechanical variable-composition evolutionary simulations predict the thermal stabilities of CaCl3,and the tight-binding model reveals that its unique Fermi surface originates from the quasi-one-dimensional interac-tion,structural symmetric protection,and particle-hole symmetry breaking.Furthermore,by its flat and steep band structure,CaCl3 has a huge span of effective mass from 9.08 x 103me(super-heavy)to 5.13 x 10-4me on the Fermi level,which supplies an interesting platform for quasiparticle research.

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基金项目

Fundamental Research Funds for the Central Universities(010-63243095)

National Science Foundation of China(92263101)

National Science Foundation of China(12174200)

出版年

2024

中国物理快报(英文版)

中国科学院物理研究所,中国物理学会

中国物理快报(英文版)

CSTPCDEI

影响因子：0.515

ISSN：0256-307X

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