Tunable Topological Phases in Two-Dimensional Electrides

Abstract

Electrides have been extensively investigated, which revealed many exotic properties. Here, we suggest two feasible two-dimensional (2D) ferromagnetic electrides HfBa 4 X 8 (X = Cl, Br), whose ground state displays a quantum anomalous Hall effect (QAHE) state with an easy x-axis magnetization. Excess electrons in these materials are confined in the cavity channel created by Ba 2+ cations and X − anions and considerably affect both the magnetic and topological properties. By rotating the magnetization counterclockwise starting from the x axis, the system can achieve two QAHE states with the opposite Chern number and a period change of the band gap, and a 2D Weyl half-semimetal state will act as a critical point with the magnetization along the y axis. Our findings provide a material family platform for studying magnetic topological phase transition in electrides, which may exhibit unique applications in spintronic devices.

THF-Assisted CO2 Reduction Catalyzed by Electride Mg2EP: Insight from DFT Calculations

“…Electrides are a type of electron-rich ionic compounds, in which some electrons occupy the anionic positions and they were treated as interstitial quasiatoms involved in the interaction with other atoms. − The loose electrons enable such electrides to typically exhibit a strong electron-donating ability and high electron density outside the atomic sites. Therefore, most of these electrides with unique electronic properties may be applied to various fields, such as catalysis, − battery electrodes, − superconductors, , and electron emitters, , etc.…”