Publication at Faculty of Mathematics and Physics |
2019
Abstract
We investigate theoretically the electronic and magnetic structure of Fe2Hf. The density functional theory is used to calculate the magnetic moments on individual atoms, the total and projected densities of states, and the magnetic anisotropy energy.
The Fe2Hf is found to be metallic and ferrimagnetic, with the magnetic moments of Fe and Hf atoms pointing in the opposite directions. The negative magnetic anisotropy, and the "in-plane" preferential direction of the magnetization are found as a result of theoretical calculations.
Our study suggests that the chemical control of the magnetic anisotropy has to be investigated in order to evaluate the potential of Fe2Hf for the permanent magnet applications.