@article{oai:kanazawa-u.repo.nii.ac.jp:00047702,
 author = {小田, 竜樹 and Ikhsan, Nurul and Kanagawa, Tomosato and Pardede, Indra and Yoshikawa, Daiki and Oda, Tatsuki},
 journal = {The Science Reports of Kanazawa University},
 month = {},
 note = {Electronic structure and magnetic anisotropy energy (MAE) of Cr-buffered
Fe/MgO interface were investigated in terms of thickness dependence by means of a fully
relativistic density functional approach. The electronic structure indicated that the interface
state gets occupied unlike a typical rigid band picture as the number of Fe layers decreases,
leading large perpendicular anisotropies in the oscillating behavior for its thickness dependence.
The maximum of the MAE originating from spin-orbit interaction (SOI) reaches
2mJ/m2. It was found that the saddle point nature and dispersionless at the Fermi level may
be an origin of its large perpendicular magnetic anisotropy. To evaluate the MAE originating
from SOI, the in-plane shape magnetic anisotropy originating from magnetic dipole
interaction (MDI) was estimated. The calculated MAE from MDI required a suppression of
the calculated total magnetization for realizing a fair agreement with an experimental MAE.
With using a rescaled magnetization it was found that a possible perpendicular anisotropy
may appear in the thickness range of experimental data.},
 pages = {23--35},
 title = {Perpendicular and in-plane magnetic anisotropies in Cr-buffered Fe(x)/MgO interface from first-principles approach},
 volume = {62},
 year = {2018}
}