Abstract Electronic structure and magnetic interactions of a Tb adatom on graphene are investigated from first principles using combination of density functional theory and multiconfigurational quantum chemistry techniques including spin–orbit coupling (SOC) . We determine that the six-fold symmetry hollow site is the preferred adsorption site and investigate electronic spectrum for different adatom oxidation states including Tb3+, Tb2+, Tb1+, and Tb0. For all charge states, the Tb configuration is retained with other adatom valence electrons being distributed over , , and single-electron orbitals. We find strong intra-site adatom exchange coupling that ensures that the spins are parallel to the4fspin. For Tb3+, the energy levels can be described by theJ = 6 multiplet split by the graphene crystal field (CF). For other oxidation states, the interaction of4felectrons with spin and orbital degrees of freedom of electrons in the presence of SOC results in the low-energy spectrum composed closely lying effective multiplets that are split by the graphene CF. Stable magnetic moment is predicted for Tb3+and Tb2+adatoms due to uniaxial magnetic anisotropy and effective anisotropy barrier around 440 cm−1controlled by the temperature assisted quantum tunneling of magnetization through the third excited doublet. On the other hand, in-plane magnetic anisotropy is found for Tb1+and Tb0adatoms. Our results indicate that the occupation of the orbitals can dramatically affect the magnetic anisotropy and magnetic moment stability of rare earth adatoms. 
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                            Magnetic order in nanogranular iron germanium (Fe 0.53 Ge 0.47 ) films
                        
                    
    
            Abstract We study the effect of strain on the magnetic properties and magnetization configurations in nanogranular FexGe films ( ) with and without B20 FeGe nanocrystals surrounded by an amorphous structure. Relaxed films on amorphous silicon nitride membranes reveal a disordered skyrmion phase while films near and on top of a rigid substrate favor ferromagnetism and an anisotropic hybridization of Fedlevels and spin-polarized Gespband states. The weakly coupled topological states emerge at room temperature and become more abundant at cryogenic temperatures without showing indications of pinning at defects or confinement to individual grains. These results demonstrate the possibility to control magnetic exchange and topological magnetism by strain and inform magnetoelasticity-mediated voltage control of topological phases in amorphous quantum materials. 
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                            - PAR ID:
- 10554635
- Publisher / Repository:
- IOP Publishing
- Date Published:
- Journal Name:
- Journal of Physics: Condensed Matter
- Volume:
- 37
- Issue:
- 4
- ISSN:
- 0953-8984
- Format(s):
- Medium: X Size: Article No. 045802
- Size(s):
- Article No. 045802
- Sponsoring Org:
- National Science Foundation
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