Magnetic interactions in strongly correlated systems: Spin and orbital contributions

• Published in: Annals of physics Vol. 360; pp. 61 - 97
• Main Authors: Secchi, A., Lichtenstein, A.I., Katsnelson, M.I.
• Format: Journal Article
• Language: English
• Published: New York Elsevier Inc 01.09.2015; Elsevier BV
• Subjects: Anisotropic exchange interaction; ANISOTROPY; CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Correlation analysis; DEGREES OF FREEDOM; Dzyaloshinskii–Moriya interaction; Green’s functions; HUBBARD MODEL; L-S COUPLING; MAGNETIC FIELDS; MAGNETISM; MEAN-FIELD THEORY; Orbital magnetism; Orbits; Quantum physics; RELATIVISTIC RANGE; SELF-ENERGY; SPIN; Spinning; Strongly correlated systems; SYMMETRY BREAKING; Anisotropic exchange interaction; Dzyaloshinskii–Moriya interaction; Strongly correlated systems; Green’s functions; Orbital magnetism
• ISSN: 0003-4916; 1096-035X
• DOI: 10.1016/j.aop.2015.05.002

We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin rotations in the two systems are equivalent up to second order in the rotation angles, when the electronic system is in a symmetry-broken phase. This allows to determine the parameters of relativistic and non-relativistic magnetic interactions in the effective spin model in terms of equilibrium Green’s functions of the electronic model. The Hamiltonian of the electronic system includes, in addition to the non-relativistic part, relativistic single-particle terms such as the Zeeman coupling to an external magnetic field, spin–orbit coupling, and arbitrary magnetic anisotropies; the orbital degrees of freedom of the electrons are explicitly taken into account. We determine the complete relativistic exchange tensors, accounting for anisotropic exchange, Dzyaloshinskii–Moriya interactions, as well as additional non-diagonal symmetric terms (which may include dipole–dipole interaction). The expressions of all these magnetic interactions are determined in a unified framework, including previously disregarded features such as the vertices of two-particle Green’s functions and non-local self-energies. We do not assume any smallness in spin–orbit coupling, so our treatment is in this sense exact. Finally, we show how to distinguish and address separately the spin, orbital and spin–orbital contributions to magnetism, providing expressions that can be computed within a tight-binding Dynamical Mean Field Theory.