Berlin 2018 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 44: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials IV (joint session O/MM/DS/TT/CPP)

CPP 44.5: Vortrag

Mittwoch, 14. März 2018, 11:45–12:00, HL 001

Exact exchange energy of the ferromagnetic electron gas with dipolar interactions — •Camilla Pellegrini, Tristan Mueller, Kay Dewhurst, Sangeeta Sharma, and Eberhard K. U. Gross — Max-Planck-Institut fur Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

We propose a density functional treatment of the magnetic dipole-dipole interaction as a spin-spin correction to the Coulomb force in the Breit-Pauli Hamiltonian. Within this microscopic approach, the Hartree-like term for the dipolar coupling corresponds to the classical magnetostatic energy currently implemented in micromagnetic calculations. In addition, we have derived quantum corrections by evaluating analytically the exact exchange energy (Fock term) for the homogeneous electron gas, within the linear response to a noncollinear magnetic field. We expect our functional to open the path towards a full ab initio description of inhomogeneous magnetic structures at the nanoscale, with applications to domain-wall operated spintronic devices.