| Autor: |
M Tchaplianka, A B Shick, A I Lichtenstein |
| Jazyk: |
angličtina |
| Rok vydání: |
2021 |
| Předmět: |
|
| Zdroj: |
New Journal of Physics, Vol 23, Iss 10, p 103037 (2021) |
| Druh dokumentu: |
article |
| ISSN: |
1367-2630 |
| DOI: |
10.1088/1367-2630/ac2d71 |
| Popis: |
We report density functional theory plus exact diagonalization of the multi-orbital Anderson impurity model calculations including the spin–orbit coupling for the Co adatom on the top of Cu _2 N/Cu(001) surface. It is found that experimentally observed zero-bias peak in differential conductance can occur for quasi-degenerate many-body solution representing a mixed valence state of the Co adatom with the non-integer d manifold occupation of 7.4. Estimated 5 meV inelastic step energy is in a quantitative agreement with the experimental scanning tunnelling spectroscopy value of 6 meV. We find the non-zero spin and orbital magnetic moments in the applied magnetic field, in a reasonable agreement with the x-ray magnetic circular dichroism data. The presence of large orbital magnetic moment was not considered in previous spin-only theoretical interpretations, and can unravel complexity of the physics behind the experimental spectra for Co and other adatoms on Cu _2 N/Cu(001) surface. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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