Preparation and photoemission investigation of bulklikeα-Mnfilms on W(110)

Abstract

We report the successful stabilization of a thick bulklike distorted ␣-Mn film with ͑110͒ orientation on a W͑110͒ substrate. The observed ͑3 ϫ 3͒ overstructure for the Mn film with respect to the original W͑110͒ low-energy electron-diffraction pattern is consistent with the presented structure model. The possibility to stabilize such a pseudomorphic Mn film is supported by density-functional total-energy calculations. Angleresolved photoemission spectra of the stabilized ␣-Mn͑110͒ film show weak dispersions of the valence-band electronic states in accordance with the large unit cell.

Coulomb correlation in noncollinear antiferromagnetic α -Mn

“…In fact, as we noted above, we obtain two distinct magnetic structures, both with large collinear magnetic moments on Mn I sites, while the moments on Mn II sites are slightly smaller and canted away from the collinear direction. For the first solution, which is based on the fully-relaxed structure, we obtain R ws = 2.781 a.u., and this solution might correspond to the strained α-phase reported experimentally by Dedkov et al 62 . The second solution involves computations with a fixed cell shape.…”