Tuning the magnetic properties of Fe3GeTe2 by doping with 3d transition-metals

Doping with alien transition-metal atoms is an effective method to tune the magnetic properties of two-dimensional magnetic material Fe3GeTe2. Using first principles calculation, we investigated the magnetic properties of Fe3GeTe2 doped with 3d atoms such as V, Cr, Mn, etc. Calculation results indicate that site I is more energetically favorable than site II for all 3d atoms, except for Co-doped Fe3GeTe2. Doping of these 3d atoms leads to significant variations of the average magnetic moment of Fe-I and Fe-II atoms. The magnetic moment of Fe-I decreased substantially for all 3d atom-doped-Fe3GeTe2 systems, except for the Co-doped system. Compared to Fe-I, the magnetic moment of Fe-II is more sensitive to doping with 3d-atoms. The observed variations of the magnetic moment can be explained by the electron-transfer of the doped atoms. These results can aid future experimental studies and provide valuable information for the development of Fe3GeTe2-based spin electronic devices. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

Doping with alien transition-metal atoms can effectively tune the magnetic properties of Fe3GeTe2, with different effects on the magnetic moment of Fe-I and Fe-II atoms. The observed variations in magnetic moment can be explained by electron transfer of the doped atoms, providing valuable information for the development of Fe3GeTe2-based spin electronic devices.