Formation of CuO${}_2$ sublattices by suppression of interlattice correlations in tetragonal CuO

Abstract

We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic correlations and simple structure, analysing the physics of t-CuO is of high interest as it may pave the way towards a more complete understanding of high temperature superconductivity in hole-doped antiferromagnets. In this work we give a formal justification for the weak coupling assumption that has previously been made for the interconnected sublattices within a single layer of t-CuO by studying the non-local self-energies of the system. We compute momentum-resolved spectral functions using a Matrix Product State (MPS)-based impurity solver directly on the real axis, which does not require any numerically ill-conditioned analytic continuation. The agreement with photoemission spectroscopy indicates that a single band Hubbard model is sufficient to capture the material's low energy physics. We perform calculations on a range of different temperatures, finding two magnetic regimes, for which we identify the driving mechanism behind their respective insulating state. Finally, we show that in the hole-doped regime the sublattice structure of t-CuO has interesting consequences on the symmetry of the superconducting state.

arXiv comment30 pages, 11 figures

References in corpus (74)

• The density-matrix renormalization group in the age of matrix product states
• The density-matrix renormalization group
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• The pseudogap in high-temperature superconductors: an experimental survey
• Quantum Cluster Theories
• Time-dependent variational principle for quantum lattices
• Unifying time evolution and optimization with matrix product states
• LDA energy bands, low-energy Hamiltonians, t', t'', t_{perp}(k), and J_{perp}
• Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach
• Continuous Time Quantum Monte Carlo method for fermions
• Cellular Dynamical Mean Field Approach to Strongly Correlated Systems
• The Challenge of Unconventional Superconductivity
• Order and quantum phase transitions in the cuprate superconductors
• Antiferromagnetism and d-wave superconductivity in cuprates: a uster DMFT study
• Self-energy-functional approach to systems of correlated electrons
• Variational cluster approach to correlated electron systems in low dimensions
• Numerical Renormalization Group Calculations for the Self-energy of the impurity Anderson model
• Pseudogap induced by short-range spin correlations in a doped Mott insulator
• The Electronic Nature of High Temperature Cuprate Superconductors
• Cluster Perturbation Theory for Hubbard models
• Competition between Antiferromagnetism and Superconductivity in High $T_c$ Cuprates
• Evolution of electronic structure of doped Mott insulators - reconstruction of poles and zeros of Green's function
• Strongly Correlated Superconductivity: a plaquette Dynamical mean field theory study
• Momentum space anisotropy and pseudogaps: a comparative cluster dynamical mean field analysis of the doping-driven metal-insulator transition in the two dimensional Hubbard model
• Dynamical Breakup of the Fermi Surface in a doped Mott Insulator
• Strength of Correlations in electron and hole doped cuprates
• Variational cluster approach to spontaneous symmetry breaking: The itinerant antiferromagnet in two dimensions
• Self-energy-functional approach: Analytical results and the Mott-Hubbard transition
• Strong coupling superconductivity, pseudogap and Mott transition
• Pseudogap opening and formation of Fermi arcs as an orbital-selective Mott transition in momentum space
• Antiferromagnetic to superconducting phase transition in the hole- and electron-doped Hubbard model at zero temperature
• Pseudogap and antiferromagnetic correlations in the Hubbard model
• Solving nonequilibrium dynamical mean-field theory using matrix product states
• Nodeless pairing in superconducting copper-oxide monolayer films on Bi2Sr2CaCu2O8+δ
• Updated Core Libraries of the ALPS Project
• Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions
• Pseudogap temperature as a Widom line in doped Mott insulators
• Chebyshev Matrix Product State Impurity Solver for the Dynamical Mean-Field Theory
• High energy kink in the single particle spectra of the two-dimensional Hubbard model
• Ab initio effective Hamiltonians for cuprate superconductors
• How to discretize a quantum bath for real-time evolution
• Fork Tensor Product States - Efficient Three Orbital Real Time DMFT Solver
• Interpolating self-energy of the infinite-dimensional Hubbard model: Modifying the iterative perturbation theory
• String excitations of a hole in a quantum antiferromagnet and photoelectron spectrospopy
• Imaginary-time matrix product state impurity solver for dynamical mean-field theory
• Tetragonal CuO: A new end member of the 3d transition metal monoxides
• Practical consequences of Luttinger-Ward functional multivaluedness for cluster DMFT methods
• Magnetism and d-wave superconductivity on the half-filled square lattice with frustration
• Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations
• Imaginary-time matrix product state impurity solver in a real material calculation: Spin-orbit coupling in Sr${}_2$RuO${}_4$
• Effective Heisenberg model and exchange interaction for strongly correlated systems
• Origin of Strong Dispersion in Hubbard Insulators
• Sr${}_2$MoO${}_4$ and Sr${}_2$RuO${}_4$: Disentangling the Roles of Hund's and van Hove Physics
• Pseudogap and singlet formation in cuprate and organic superconductors
• Plaquette Valence Bond Theory of High-Temperature Superconductivity
• Conditions for magnetically induced singlet d-wave superconductivity on the square lattice
• Spectral functions of Sr${}_2$IrO${}_4$: theory versus experiment
• Real-space cluster dynamical mean-field theory: Center focused extrapolation on the one- and two particle level
• Local Plaquette Physics as Key Ingredient of High-Temperature Superconductivity in Cuprates
• Non-Zhang-Rice singlet character of the first ionization state of T-CuO
• Impurity-induced magnetic moments on the graphene-lattice Hubbard model: an inhomogeneous cluster DMFT study
• Dynamical Mean-Field Theory on the Real-Frequency Axis: p-d Hybridizations and Atomic Physics in SrMnO${}_3$
• Relevance of Cu-3d multiplet structure in models of high Tc cuprates
• Variational cluster approach to ferromagnetism in infinite dimensions and in one-dimensional chains
• Generalized one-band model based on Zhang-Rice singlets for Tetragonal CuO
• Pseudogap, van Hove Singularity, Maximum in Entropy and Specific Heat for Hole-Doped Mott Insulators
• ARPES study of orbital characters, symmetry breakings and pseudogaps in doped and pure Sr2IrO4
• Non-local Coulomb correlations in pure and electron-doped ${\mathrm{Sr}}_2{\mathrm{IrO}}_4$: spectral functions, Fermi surface and pseudogap-like spectral weight distributions from oriented cluster dynamical mean field theory
• BaOsO${}_3$: A Hund's metal in the presence of strong spin-orbit coupling
• Entanglement and classical correlations at the doping-driven Mott transition in the two-dimensional Hubbard model
• Exactly solvable model of strongly correlated $d$-wave superconductivity
• Chiral $p$-wave superconductivity in twisted bilayer graphene from dynamical mean field theory
• Thickness dependent structural and electronic properties of CuO adsorbed on SrTiO3(100): a hybrid density functional theory study
• Comment on "Relevance of Cu-3d multiplet structure in models of high Tc cuprates''