Orbital moment of a single Co atom on a Pt(111) surface - a view from correlated band theory
Alexander B. Shick (1), and Alexander I. Lichtenstein (2),, ((1)Institute of Physics ASCR, Prague, Czech Republic, (2)University of, Hamburg, Germany)
TL;DR
This paper uses correlated band theory to accurately calculate the orbital magnetic moment of a Co atom on a Pt(111) surface, highlighting the importance of electron correlation and structural relaxation.
Contribution
It demonstrates the effectiveness of the LSDA+U method in modeling orbital moments and elucidates the microscopic origins of orbital moment enhancement.
Findings
Calculated orbital moment agrees with experimental data
Electron correlation and structural relaxation are crucial for orbital moment formation
Microscopic analysis explains the origin of orbital moment enhancement
Abstract
The orbital magnetic moment of a Co adatom on a Pt(111) surface is calculated in good agreement with experimental data making use of the LSDA+U method. It is shown that both electron correlation induced orbital polarization and structural relaxation play essential roles in orbital moment formation. The microscopic origins of the orbital moment enhancement are discussed.
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