Accurate computations of Rashba spin-orbit coupling in interacting systems: from the Fermi gas to real materials

Abstract

We describe the treatment of Rashba spin-orbit coupling (SOC) in interacting many-fermion systems within the auxiliary-field quantum Monte Carlo framework, and present a set of illustrative results. These include numerically exact calculations on the ground-state properties of the spin-balanced, attractive two-dimensional Fermi gas, as well as a study of a tight-binding Hamiltonian with repulsive interaction. These systems are formally connected via the Hubbard Hamiltonian with SOC, but cover different physics ranging from superfluidity and triplet pairing to SOC in real materials in the presence of strong interactions in localized orbitals. We carry out detailed benchmark studies of the method in the latter case when an approximation is needed to control the sign problem for repulsive Coulomb interactions. The methods presented here provide an approach for predictive computations in materials to study the interplay of SOC and strong correlation.

12 pages, 8 figures

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Cited by in corpus (7)

• Absence of superconductivity in the pure two-dimensional Hubbard model
• Ab Initio Electronic Structure Calculations by Auxiliary-Field Quantum Monte Carlo
• A Pseudo-BCS Wavefunction from Density Matrix Decomposition:Application in Auxiliary-Field Quantum Monte Carlo
• Ab initio Calculations in Atoms, Molecules, and Solids, Treating Spin-Orbit Coupling and Electron Interaction on Equal Footing
• A numerically exact study of Weyl superconductivity
• Phaseless auxiliary-field quantum Monte Carlo method with spin-orbit coupling
• Effective spin-orbit models using correlated first-principles wave functions