title: Giant Magnetic Anisotropy of Co, Ru, and Os Adatoms on MgO (001) Surface.
abstract: Large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. Here, using ligand-field level diagrams and density functional calculations, we well explain the very recent discovery [I. G. Rau et al., Science 344, 988 (2014)] that an individual Co adatom on a MgO (001) surface has a large MAE of more than 60 meV. More importantly, we predict that a giant MAE up to 110 meV could be realized for Ru adatoms on MgO (001), and even more for the Os adatoms (208 meV). This is a joint effect of the special ligand field, orbital multiplet, and significant spin-orbit interaction, in the intermediate-spin state of the Ru or Os adatoms on top of the surface oxygens. The giant MAE could provide a route to atomic scale memory.
authors.affiliation: Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China.|Science and Technology on Reliability and Environmental Engineering Laboratory, Beijing Institute of Spacecraft Environment Engineering, Beijing 100094, China.
authors.forename: Xuedong
authors.initials: X
authors.lastname: Ou
authors.affiliation: Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China.
authors.forename: Hongbo
authors.initials: H
authors.lastname: Wang
authors.affiliation: Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China.
authors.forename: Fengren
authors.initials: F
authors.lastname: Fan
authors.affiliation: Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China.
authors.forename: Zhengwei
authors.initials: Z
authors.lastname: Li
authors.affiliation: Laboratory for Computational Physical Sciences (MOE), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433, China.|Collaborative Innovation Center of Advanced Microstructures, Nanjing 210093, China.
authors.forename: Hua
authors.initials: H
authors.lastname: Wu