@article{oai:kanazawa-u.repo.nii.ac.jp:00047703, author = {小田, 竜樹 and Ikhsan, Nurul and Pardede, Indra and Kanagawa, Tomosato and Yoshikawa, Daiki and Oda, Tatsuki}, journal = {The Science Reports of Kanazawa University}, month = {}, note = {Effects of the Fermi level smearing introducing temperature dependence of energy-band occupation numbers were investigated in terms of magnetic anisotropy by using a density functional theory. In a perpendicular magnetization film Fe(0.7nm)/MgO, the magnetocrystalline anisotropy shows a decrease with respect to the smearing temperature; 0.4mJ/m2 from 11K to 527K. This reduction is not negligible and is expected to partially compensated by a reduction in the shape magnetic anisotropy, assuming reasonable values of the Curie temperature and saturated magnetic moment. The resulting temperature dependences in the total perpendicular magnetic anisotropy energy is in agreement with those of available experimental data semi-quantitatively.}, pages = {37--49}, title = {Fermi level smearing effect in the perpendicular interface Fe/MgO magnetic anisotropy}, volume = {62}, year = {2018} }