- [Show abstract] [Hide abstract] ABSTRACT: We performed first principles calculations for magnetic domain wall structures in free-standing Fe monolayers with lattice constants matching with those of bcc Fe(1 1 0) and W(1 1 0) substrates by using the full-potential linearized augmented plane-wave method that incorporates intra-atomic noncollinear magnetism. The self-consistent calculations predict atomically narrow domain walls with widths of about 8 and 14 Å for the monolayers with the lattice constants of the Fe and W, respectively. These results are qualitatively consistent with and support domain walls having a 6 Å width in the Fe monolayers on a W(1 1 0) substrate recently observed in spin-polarized scanning tunneling microscopy experiments.
- [Show abstract] [Hide abstract] ABSTRACT: Magnetic domain wall structures in an Fe (110) monolayer are determined by the highly precise first principles full-potential linearized augmented plane-wave method including intra-atomic noncollinear magnetism. The self-consistent results demonstrate that the magnetization changes from one orientation to the opposite (180 degrees ) orientation within an 8 A width without any abrupt rotation. This narrow domain wall is found to arise from band effects. Our results are consistent with and support domain walls having a 6 A width recently observed in spin-polarized scanning tunneling microscopy experiments.