School of Physics - Theses
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ItemFunctional Renormalization Group Methods for Spin-Orbit Coupled Hubbard Systems( 2023-08)This thesis establishes the extension of the functional renormalization group to systems of arbitrary lattice complexity with additional spin or orbital degrees of freedom. Using these capabilities, we investigate the effects of spin-orbit coupling on square and triangular lattice structures, which describe for example cuprates, iron-pnictides, strontium ruthenate, tin layers on silicon and lead layers on silicon-carbide. For the methodological advances, we build on previous studies of the truncated-unity functional renormalization group, but remedy existing symmetry breaking issues. These were incurred when combining a sublattice degree of freedom with the expansion of non- transfer momentum dependencies in a plane-wave basis, and can be alleviated by careful selection of considered bonds. We furthermore demonstrate a wide range of intricacies, paramount for correct functional renormalization calculations, all of which we resolved. The obtained algorithms we validate at certainty not hitherto achieved, heralding a novel approach of quantitative comparison. All of this is contained and published in a high- performance C++ implementation, already in use by junior researchers. Motivated by experimental results, we study the effect of Rashba spin-orbit coupling in the square-lattice Hubbard model. We find the superconducting instabilities to be robust under weak-to-moderate Rashba-coupling strengths. When the coupling is increased further the transition scale decreases significantly. We furthermore measure the contribution of triplet superconductivity, to indicate regions of interest for topological effects. Taking advantage of the functional renormalization group’s capability to produce phase diagrams, we also investigate particle-hole instabilities in the system. Here we find a complex interplay of commensurate and incommensurate spin-density waves and unexpected regions of accidental nesting. The weak-to-intermediate coupling phase diagram in filling and spin-orbit coupling strength is presented. We lastly turn our attention to triangular lattice materials. Here, recent ab-initio calculations predict high Rashba spin-orbit coupling strengths in, for example, Pb on SiC. We introduce Rashba spin-orbit coupling to the Hubbard model, finding a wide range of spin-density waves with differing ordering vectors, some of which appear favorable for multi-q instabilities. We further find superconducting phases around half-filling and at low filling. The region around half-filling is singlet-dominated, gaining triplet weight with increased spin-orbit coupling. Contrarily the pure triplet region at low filling is an extended phase, persisting under spin-orbit coupling. We present a phase diagram for the triangular lattice Rashba-Hubbard model in filling and spin-orbit coupling strength.