Approximate formula for the macroscopic polarization including quantum fluctuations

Abstract

The many-body Berry phase formula for the macroscopic polarization is approximated by a sum of natural orbital geometric phases with fractional occupation numbers accounting for the dominant correlation effects. This reduced formula accurately reproduces the exact polarization in the Rice-Mele-Hubbard model across the band insulator-Mott insulator transition. A similar formula based on a one-body reduced Berry curvature accurately predicts the interaction-induced quenching of Thouless topological charge pumping.

References in corpus (29)

• Quantum Spin Hall Effect and Topological Phase Transition in HgTe Quantum Wells
• $Z_2$ Topological Order and the Quantum Spin Hall Effect
• Topological Insulators in Three Dimensions
• Maximally localized Wannier functions: Theory and applications
• Atomistic origins of high-performance in hybrid halide perovskite solar cells
• Topological invariants of time-reversal-invariant band structures
• Three dimensional topological invariants for time reversal invariant Hamiltonians and the three dimensional quantum spin Hall effect
• The physics of dynamical atomic charges: the case of ABO3 compounds
• Quantum Theory of Orbital Magnetization and its Generalization to Interacting Systems
• Density-Polarization Functional Theory of the response of a periodic insulating solid to an electric field.
• Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA
• Scaling of geometric phases close to quantum phase transition in the XY chain
• Geometric phases and criticality in spin chain systems
• Quantum marginal problem and N-representability
• The Pauli principle revisited
• Pinning of Fermionic Occupation Numbers
• Temperature effects in the band structure of topological insulators
• Temperature-induced topological phase transitions: promoted vs. suppressed non-trivial topology
• SNEG - Mathematica package for symbolic calculations with second-quantization-operator expressions
• Quasi-pinning and entanglement in the lithium isoelectronic series
• Non-Nominal Value of the Dynamical Effective Charge in Alkaline-Earth Oxides
• Locality properties and Wannier functions for interacting systems
• Band-by-band decomposition of the Born effective charges
• The Pauli exclusion principle and beyond
• Reconstruction of the polarization distribution of the Rice-Mele model
• Time-dependent occupation numbers in reduced-density-matrix functional theory: Application to an interacting Landau-Zener model
• Hamiltonian formulation of nonequilibrium quantum dynamics: geometric structure of the BBGKY hierarchy
• Geometric Phase and Quantum Phase Transition : Two-Band Model
• Induced gauge potentials in reduced density matrix dynamics

Cited by in corpus (9)

• Thouless pumping and topology
• Topological charge pumping in the interacting bosonic Rice-Mele model
• Local theory of the insulating state
• Fock space embedding theory for strongly correlated topological phases
• On the time evolution of fermionic occupation numbers
• Model Hamiltonian for strongly-correlated systems: Systematic, self-consistent, and unique construction
• Anomalous bulk-edge correspondence of nonlinear Rice-Mele model
• Natural orbitals and two-particle correlators as tools for analysis of effective exchange couplings in solids
• Quantum covariant derivative