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Properties of Metal–Organic Coordination Networks Based on 3d Transition Metal Atoms
(MDPI, 2018-04)
The magnetic anisotropy and exchange coupling between spins localized at the positions of 3d transition metal atoms forming two-dimensional metal-organic coordination networks (MOCNs) grown on a Au(111) metal surface are ...
Validity of perturbative methods to treat the spin-orbit interaction: application to magnetocrystalline anisotropy
(IOP Publishing, 2019-07-29)
A second-order perturbation (2PT) approach to the spin-orbit interaction (SOI) is implemented within a density-functional theory framework. Its performance is examined by applying it to the calculation of the magnetocrystalline ...