2021-09-25T22:22:06Zhttps://tsukuba.repo.nii.ac.jp/oaioai:tsukuba.repo.nii.ac.jp:000184122021-03-01T16:59:52ZFully Relativistic Calculations of Magneto-Optical Kerr Effect鈴木, 修吾Li, Ming-FangAriizumi, ToshihiroSuzuki, Shugoapplication/pdfWe study the magneto-optical Kerr effect using fully relativistic calculations. Spin–orbit coupling is dealt with exactly solving the Dirac equation directly and the matrix elements of the Dirac matrices α are used in a fully relativistic expression of the Kubo formula for the optical conductivity derived with a relativistic sum rule. We also perform approximate calculations of the optical conductivity to examine the accuracy of a partly relativistic expression in which the matrix elements of the momentum operator p are used instead. As an example, we carry out calculations for bcc Fe and fcc Ni using the fully relativistic full-potential linear-combination-of-atomic-orbitals method. It is found that the partly relativistic treatment is good for the diagonal optical conductivity while it is not very good for the off-diagonal optical conductivity, the Kerr rotation angle, and the Kerr ellipticity. The results of the present study are compared to those of experimental and other theoretical studies.journal articleThe Physical Society of Japan2007-04application/pdfJournal of the Physical Society of Japan576054702http://hdl.handle.net/2241/1039900031-9015AA00704814https://tsukuba.repo.nii.ac.jp/record/18412/files/jpsj_76-05.pdfeng10.1143/JPSJ.76.054702©2007 The Physical Society of Japan