Ke C., Wu Y., Guo G.-Y., Wu Z., Kang J.Wu Y., Guo G.-Y., Wu Z., Kang J.Ke C.Wu Y.Guo G.-Y.Wu Z.GUANG-YU GUO2021-07-282021-07-282019223727https://www.scopus.com/inward/record.uri?eid=2-s2.0-85063970923&doi=10.1088%2f1361-6463%2fab03e9&partnerID=40&md5=ad0abbde25692e9b16b85451ae3bfe3bhttps://scholars.lib.ntu.edu.tw/handle/123456789/573461Electrically controllable magnetic properties in 2D materials are promising for the development of the next-generation of magnetic and spintronic applications. In this paper, a theoretical design of magnetic property modulation in an Fe-doped GaSe monolayer is provided based on systematical density functional theory calculations. A ferromagnetic coupling between Fe and the vicinal Ga atom in the Fe-doped GaSe monolayer is found to be regulated to an antiferromagnetic coupling at a critical electric field of 0.2 V ? -1 , accompanied with the change of the magnetic moment and the spin polarization. By calculating the magnetization energy, total energy, charge redistribution, and orbital-decomposed densities of states, the significant effect of the electric field on the magnetic configuration and magnetic anisotropy in the Fe-doped GaSe monolayer is analyzed, and the related physics mechanism is revealed. The electric-field tunable magnetic properties offer a promising application in magnetic and spintronic devices. ? 2019 IOP Publishing Ltd.Density functional theory; Electric fields; Gallium compounds; Iron compounds; Layered semiconductors; Magnetic anisotropy; Magnetic moments; Selenium compounds; Spin polarization; Antiferromagnetic coupling; Critical electric field; external electric feld; Fe-doped; Ferromagnetic coupling; Magnetic configuration; Perpendicular magnetic anisotropy; Spintronic applications; Monolayers[SDGs]SDG7journal article10.1088/1361-6463/ab03e92-s2.0-85063970923