AUTHOR=Chen Dongke , Jiang Zhengyu , Tang Ying , Zhou Junlei , Gu Yuzhou , He Jing-Jing , Yuan Jiaren 

TITLE=Electrical and magnetic properties of antiferromagnetic semiconductor MnSi2N4 monolayer

JOURNAL=Frontiers in Chemistry

VOLUME=10

YEAR=2022

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2022.1103704

DOI=10.3389/fchem.2022.1103704

ISSN=2296-2646

ABSTRACT=<p>Two-dimensional antiferromagnetic semiconductors have triggered significant attention due to their unique physical properties and broad application. Based on first-principles calculations, a novel two-dimensional (2D) antiferromagnetic material MnSi<sub>2</sub>N<sub>4</sub> monolayer is predicted. The calculation results show that the two-dimensional MnSi<sub>2</sub>N<sub>4</sub> prefers an antiferromagnetic state with a small band gap of 0.26 eV. MnSi<sub>2</sub>N<sub>4</sub> has strong antiferromagnetic coupling which can be effectively tuned under strain. Interestingly, the MnSi<sub>2</sub>N<sub>4</sub> monolayer exhibits a half-metallic ferromagnetic properties under an external magnetic field, in which the spin-up electronic state displays a metallic property, while the spin-down electronic state exhibits a semiconducting characteristic. Therefore, 100% spin polarization can be achieved. Two-dimensional MnSi<sub>2</sub>N<sub>4</sub> monolayer has potential application in the field of high-density information storage and spintronic devices.</p>