Koopmans' theorem as the mechanism of nearly gapless surface states in self-doped magnetic topological insulators

no code implementations • 24 Feb 2021 • Weizhao Chen, Yufei Zhao, Qiushi Yao, Jing Zhang, Qihang Liu

The magnetization-induced gap at the surface state is widely believed as the kernel of magnetic topological insulators (MTIs) because of its relevance to various topological phenomena, such as the quantum anomalous Hall effect and the axion insulator phase.

Materials Science

Polymorphous density-functional description of paramagnetic phases of quantum magnets

no code implementations • 7 Jan 2021 • Yufei Zhao, Qiushi Yao, PengFei Liu, Jingzhi Han, Zhi Wang, Qihang Liu

The kernel of the study of magnetic quantum materials focuses on the magnetic phase transitions, among which the most common phenomenon is the transition between low-temperature magnetic-ordered phase to high-temperature paramagnetic phase.

Materials Science