Tunable band gap and transition between antiferromagnetism and ferromagnetism by surface adsorption in single-layer FePS3

Autor: Xiaoping Wu, Changsheng Song, Zhong Shen, Jiaquan Yang, Wen Xiao
Rok vydání: 2021
Předmět:
Zdroj: Journal of Materials Science: Materials in Electronics. 33:1871-1876
ISSN: 1573-482X
0957-4522
DOI: 10.1007/s10854-021-07386-0
Popis: The electronic and magnetic characteristics of two-dimensional materials have been the focus of attention in order to a wider range of spintronic applications. By using first-principles calculations, H atomic adsorption converts single-layer FePS3 from semiconductor to half-metal while Li makes it to metal. We also find that the magnetic ground state of intrinsic FePS3 can be converted from antiferromagnetic to ferromagnetic by adsorbing H atoms, while alkali-metal atoms have no effect on it. Furthermore, the magnetic ground state is found sensitive to the numbers of H adatom on the surface of FePS3 and demonstrates a vibration behavior. The present findings regarding a surface-adsorption-tuned bandgap and magnetism controlled by the adsorption concentration in a two-dimensional van der Waals magnets could lead to potential applications in next-generation magnetic memory storage, sensors and spintronic.
Databáze: OpenAIRE