Regensburg 2019 – wissenschaftliches Programm
TT 6.9: Vortrag
Montag, 1. April 2019, 11:45–12:00, H53
Electronic and magnetic structure of monolayer and double layer GdFe/W(100) surface alloy — •Vikas Kashid, Gustav Bihlmayer, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany
The rare earth-transition metal alloy films are attractive materials for high density mageto-optic storage due to their magnetic recording and magneto-optical anisotropy. We investigate by virtue of spin density functional theory (DFT) as realized in the FLEUR code , the structural and magnetic properties of the monolayer and double layer film of GdFe on the W(100) substrate in c(2× 2) unit cell, where highly localized Gd-4f orbitals are treated within GGA+U method. Gd buckles outward by 0.96 Å and 0.88 Å with respect to Fe atoms in the monolayer and double layer surfaces, respectively. The calculated monolayer and double layer GdFe/W(100) exhibits a checkerboard antiferromagnetic ground state configurations between Fe and Gd atoms. The Fe atoms in the double layer GdFe/W(100) exhibit large magnetic moment of 2.30 µB, larger than that of 1.45 µB in the monolayer film. The easy axes for the spin quantization arising from spin-orbit coupling in both the surfaces lie in the surface plane and along the diagonal of c(2× 2) cell with the magneto-crystalline anisotropy energy larger for the double layer than for the monolayer.
We acknowledge discussions with Prof. Alexander Ako Khajetoorians.