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Maciej Fidrysiak

Publications and source records attributed to Maciej Fidrysiak.

15 recordsLinked to original sources

Correlation-assisted topological and metamagnetic transitions in Rashba-coupled superconductors: $t$-$J$-$U$ model study

Unconventional superconductivity commonly emerges in systems characterized by strong electronic correlations, with layered copper-oxides serving as a canonical example. Observation of spin-momentum locking within Bi-family of the cuprates, compatible with the presence of non-negligible Rashba-type spin-orbit coupling (RSOC), calls for an investigation of the joint effects of electronic correlations and RSOC on pairing in copper-oxide and related superconductors. Employing statistically-consistent variational approximation (SGA), we carry out such an analysis by constructing the phase diagram for the case of square-lattice \textit{t-J-U} model incorporating RSOC. We also investigate the effects of time-reversal-symmetry breaking by Zeeman field, as well as characterize emergent topological superconducting (TSC) states. Chern number $C = \pm 4$ TSC is found in a broad regime of on-site Coulomb repulsion close to half-filling. The latter is not governed by correlations and emerges also within the weak-coupling Bogoliubov-de Gennes (BdG) scheme. Yet, we identify a distinct $C = \pm 2$ TSC state that is driven specifically by electronic correlations via a topological transition occurring with no bulk quasiparticle gap closure, and is accompanied by discontinuous metamagnetic and Lifshitz transitions. Moreover, a qualitatively distinct doping evolution of the $d$- and $p$-wave components of the underlying mixed-parity SC order parameter above the metal-to-insulator transition is demonstrated. Our work points toward the relevance of joint correlation and RSOC effects beyond BdG scheme to phase diagrams of RSOC-coupled superconductors.

cond-mat.str-el↗

Fermiology, charge transfer energy, and robust paramagnons in high-$T_c$ cuprate superconductors

Copper-oxide high-temperature (high-$T_c$) superconductors host robust paramagnon excitations whose propagation energies are insensitive to hole concentration and correlate with maximal measured superconducting transition temperatures. Given variation of electronic structure across (and within) cuprate families, elucidation of the relationship between microscopic parameters relevant to high-$T_c$ superconductivity and paramagnon dynamics remains a key challenge to theory. Employing canonical Hubbard- and $t$-$J$-$U$ models of a $\mathrm{CuO_2}$ plane, we relate robust paramagnon energies to high-$T_c$ fermiology (via the ratio $r \equiv t^\prime/|t|$ of next-nearest- to nearest-neighbor hopping integrals) and charge transfer energy, $Δ_\mathrm{CT}$. It is shown that variation of $r$ and $Δ_\mathrm{CT}$ between materials has an opposite effect on paramagnon energy, rationalizing comparable bandwidth of magnetic excitations across multiple cuprates. Utilizing empirical values of $r$ and $Δ_\mathrm{CT}$ as input to theory, we address magnetic dynamics in Bi-cuprate family representatives with up to three $\mathrm{CuO_2}$ planes, and demonstrate quantitative (within $6\,\%$ margin) agreement of calculated paramagnon energies with experiment. Our work offers a route toward quantitative control of robust paramagnon physics in strongly-correlated electron systems.

cond-mat.str-el↗

A nonstandard statistics for strongly correlated systems: Two simple examples

We discuss two different cases of strongly correlated fermions statistics. The first of them is the non-Fermi liquid (NFL) case, $i.e.$, that of fermions with exclusion of doubly occupancy of quasimomentum states $\{\bf k\}$ with opposite spins ($\uparrow\downarrow$). The second is that of statistical spin liquid (SSL) case, in which the fermion spins hop around and mix with the holes (unoccupied) states. For both cases we calculate the system entropy and the corresponding statistical distribution function, analyzed for a two-dimensional square-lattice filling $n\in [0,1]$ and relative temperature $k_B T/|t|$, where $t<0$ is the nearest neighbor hopping integral. We are particularly interested in the situation when the system of itinerant fermions reduce to the Mott-insulator state for the half-filled band ($n\to1$). This limiting situation signals a qualitative difference between the present SSL statistics and that of uncorrelated fermions representing normal Fermi-liquid state.

cond-mat.str-el↗

Tuning topological superconductivity within the $t$-$J$-$U$ model of twisted bilayer cuprates

We carry out a theoretical study of unconventional superconductivity in twisted bilayer cuprates (TBC) as a function of electron density and layer twist angle. The bilayer $t$-$J$-$U$ model is employed and analyzed within the framework of a generalized variational wave function approach in the statistically-consistent Gutzwiller formulation. The constructed phase diagram encompasses both gapless $d$-wave state (reflecting the pairing symmetry of untwisted copper-oxides) and gapped $d+\mathrm{e}^{iφ}d$ phase that breaks spontaneously time-reversal-symmetry (TRS) and is characterized by nontrivial Chern number. We find that $d+\mathrm{e}^{iφ}d$ state occupies a non-convex butterfly-shaped region in the doping vs. twist-angle plane, and demonstrate the presence of previously unreported reentrant TRS-breaking phase on the underdoped side of the phase diagram. This circumstance supports the emergence of topological superconductivity for fine-tuned twist angles in TBC away from $45^\circ$. Our analysis of the microscopically derived Landau free energy functional points toward sensitivity of the superconducting order parameter to small perturbations close to the topological state boundary.

cond-mat.supr-con↗

Spin excitations in Nd1-xSrxNiO2 and YBa2Cu3O7-delta: the influence of Hubbard U

We use Resonant Inelastic X-ray Scattering (RIXS) to compare the doping dependence of magnetic excitations of an Infinite-Layer nickelate to those of a prototypical superconducting cuprate. The polarization analysis of RIXS spectra establishes the dominant spin-flip nature of the mid-infrared peak in both cases. Hole doping leads to opposite behavior of the magnetic energy in the two materials. By fitting the data with an original Hubbard-based model for dynamic susceptibility, we find that t is comparable in the two materials while U is about twice larger in the nickelate. This finding accounts for the smaller magnetic bandwidth of nickelates and for its decrease upon doping.

cond-mat.str-el↗

Electron-hole asymmetry of quantum collective excitations in high-$T_c$ copper oxides

We carry out a systematic study of collective spin- and charge excitations for the canonical single-band Hubbard, $t$-$J$-$U$, and $t$-$J$ models of high-temperature copper-oxide superconductors, both on electron- and hole-doped side of the phase diagram. Recently developed variational wave function approach, combined with the expansion in inverse number of fermionic flavors, is employed. All three models exhibit a substantial electron-hole asymmetry of magnetic excitations, with a robust paramagnon emerging for hole-doping, in agreement with available resonant inelastic $x$-ray scattering data for the cuprates. The $t$-$J$ model yields additional high-energy peak in the magnetic spectrum that is not unambiguously identified in spectroscopy. For all considered Hamiltonians, the dynamical charge susceptibility contains a coherent mode for both hole- and electron doping, with overall bandwidth renormalization controlled by the on-site Coulomb repulsion. Away from the strong-coupling limit, the antiferromagnetic ordering tendency is more pronounced on electron-doped side of the phase diagram.

cond-mat.str-el↗

Strain-induced Aharonov-Bohm effect at nanoscale and ground state of a carbon nanotube with zigzag edges

Magnetic flux piercing a carbon nanotube induce periodic gap oscillations which represent the Aharonov-Bohm effect at nanoscale. Here we point out, by analyzing numerically the anisotropic Hubbard model on a honeycomb lattice, that similar oscillations should be observable when uniaxial strain is applied to a nanotube. In both cases, a vector potential (magnetic- or strain-induced) may affect the measurable quantities at zero field. The analysis, carried out within the Gutzwiller Approximation, shows that for small semiconducting nanotube with zigzag edges and realistic value of the Hubbard repulsion ($U/t_0=1.6$, with $t_0\approx{}2.5\,$eV being the equilibrium hopping integral) energy gap can be reduced by a factor of more than $100$ due to the strain.

cond-mat.mes-hall↗

High Temperature Superconductivity with Strong Correlations and Disorder: Possible Relevance to Cu-doped Apatite

We examine the properties of topological strongly correlated superconductor with bond disorder on triangular lattice and demonstrate that our theoretical ($t$-$J$-$U$) model exhibits some unique features of the Cu-doped apatite $\mathrm{Pb_{10-\mathit{x}}Cu_\mathit{x}(PO_4)_{6}O}$. Namely, the paired state appears only for carrier concentration $0.8 \lesssim n < 1$ per Cu and is followed by a close-by phase separation into the superconducting and Mott insulating parts. Furthermore, a moderate amount of the bond disorder ($Δt / t \lesssim 20 \%$) does not alter essentially the topology with robust Chern number $C=2$ which diminishes beyond that limit. A room-temperature superconductivity is attainable only for the exchange to hopping ratio $J/|t| \ge 1$ if one takes the bare bandwidth suggested by current DFT calculations. The admixture of $s$-wave pairing component is induced by the disorder. The results have been obtained within statistically consistent variational approximation (SGA).

cond-mat.supr-con↗

Interparticle correlations and chemical bonding from physical side: Covalency $\textit{versus}$ atomicity and ionicity

In this Chapter we reexamine the concept of $\textit{covalency}$ and $\textit{ionicity}$ on example of the simplest molecules. First, starting from the exact expression for the two-particle wave function in the case of $H_2$ molecule within the Heitler-London model, we demonstrate an unphysical behavior of the covalency at large interatomic distance which, within standard definition, reaches the maximal value in the limit of separated atoms. Second, we correct this deficiency by introducing the concept of $\textit{atomicity}$, with the help of which, we define the $\textit{true}$ (intrinsic) $\textit{covalency}$, as well as retain the precise concept of $\textit{ionicity}$. We connect the introduced atomicity to the onset of Mott-Hubbard localization, adopted here from the well established notion in the condensed matter. The evolution from the molecular to atomic states develops rapidly with interatomic distance beyond the localization threshold. This brief overview is intented as pedagogical in nature, nonetheless is analyzed quantitatively for the case of $H_2$ molecule. At the end, we outline a similar-type of model for the related case of the hydrogen bond on example of adenine-tymine pair. Methodologically, the approach is based on combining the first- (wave mechanics) and second-quantization into a single scheme of formal description.

physics.chem-ph↗

Mott transition in the Hubbard model on anisotropic honeycomb lattice with implications for strained graphene: Gutzwiller variational study

Modification of interatomic distances due to high pressure leads to exotic phenomena, including metallicity, superconductivity and magnetism, observed in materials not showing such properties in normal conditions. In two-dimensional crystals, such as graphene, atomic bond lengths can be modified by more that 10 percent by applying in-plane strain, i.e., without generating high pressure in the bulk. In this work, we study the strain-induced Mott transition on a honeycomb lattice by using computationally inexpensive techniques, including Gutzwiller Wave Function (GWF) and different variants of Gutzwiller Approximation (GA), obtaining the lower and upper bounds for critical Hubbard repulsion ($U$) of electrons. For uniaxial strain in the armchair direction the band gap is absent, and electron correlations play a dominant role. A significant reduction of the critical Hubbard $U$ is predicted. Model considerations are mapped onto tight-binding Hamiltonian for monolayer graphene by the auxiliary Su-Schrieffer-Heeger model for acoustic phonons, assuming zero stress in the direction perpendicular to the strain applied. Our results suggest that graphene, although staying in semimetallic phase even for extremely high uniaxial strains, may show measurable signatures of electron correlations, such as the band narrowing and the reduction of double occupancies.

cond-mat.str-el↗

Towards Complementary Characterization of the Chemical Bond

A precise discussion of a single bond requires consideration of two-particle wave function for the particles involved. Here we define and determine rigorously the intrinsic covalency and connected characteristics on the canonical example of \ch{H2} molecule. This is achieved by starting from analytic form for the two--particle wave function for electrons forming the bond, in which we single out the atomic contribution (\textit{atomicity}) in an unequivocal manner. The presence the of atomicity and ionicity factors complements the existing attributes of the bond. In this way, a gradual evolution of the molecular state to its two-atomic correspondant is traced systematically with increasing interatomic distance. In effect, a direct relation to the onset of incipient Mott-Hubbard atomicity (\textit{Mottness}) to the intrinsic covalency and ionicity is established. This goal is achieved by combining the single--particle wave function readjustment with a simultaneous determination of two--particle states in the particle (second--quantization) representation.

cond-mat.str-el↗

Superconductivity in high-$T_c$ and related strongly correlated systems from variational perspective: Beyond mean field theory

In this review, we single out selected universal features of high-$T_c$ and related systems, which can be compared with experiment. We start with the concept of real-space pairing, combined with strong correlations. The discussion of concrete properties relies on variational approach, based on renormalized mean-field theory (RMFT) in the form of statistically-consistent Gutzwiller approximation (SGA), and Diagrammatic Expansion of the Variational Wave Function (DE-GWF). Two energy scales appear, one involving quasiparticles close to the Fermi energy, and the other reflecting the correlated state. Those two regimes are separated by a kink in the dispersion relation, observed in photoemission. One obtains both the doping dependent properties and renormalized quasiparticles. The reviewed ground-state characteristics for high-$T_c$ systems encompass superconductivity, nematicity, charge- (and pair-) density-wave effects, as well as non-BCS kinetic energy gain in the paired state, all in quantitative manner. Calculated dynamic properties are: universal Fermi velocity, Fermi wave-vector, effective mass enhancement, pseudogap, and $d$-wave gap magnitude. The minimal realistic model is represented by the $t$-$J$-$U$ Hamiltonian. Inadequacy of the $t$-$J$ and Hubbard models is discussed. For heavy fermion systems we summarize superconducting, Kondo insulating, ferro- and anti-ferromagnetic states. We overview also coexistent ferromagnetic (spin-triplet) superconducting phases observed for $\mathrm{UGe_2}$. Finally, we extend our scheme to collective spin and charge fluctuations in high-$T_c$ systems, starting from variational approach, combined with $1/N$ expansion (beyond random phase approximation). Spectrum of collective spin and charge excitations is determined for the Hubbard and $t$-$J$-$U$ models, and compared quantitatively with recent experiments.

cond-mat.str-el↗

Collective spin and charge excitations in the $t$-$J$-$U$ model of high-$T_c$ cuprates

The $t$-$J$-$U$ model of high-$T_c$ copper-oxide superconductors incorporates both the on-site Coulomb repulsion and kinetic exchange interaction and yields a semi-quantitative description of the static properties of those materials. We extend this analysis to dynamic quantities and address collective spin- and charge excitations in the correlated metallic state of the $t$-$J$-$U$ model. We employ VWF+$1/\mathcal{N}_f$ approach that combines the variational wave function (VWF) approach with the expansion in the inverse number of fermionic flavors ($1/\mathcal{N}_f$). It is shown that the resonant (paramagnon) contribution to the dynamic magnetic susceptibility remains robust as one interpolates between the Hubbard- and $t$-$J$-model limits, whereas the incoherent continuum undergoes substantial renormalization. Energy of the collective charge mode diminishes as the strong-coupling limit is approached. We also introduce the concept of effective kinetic exchange interaction that allows for a unified interpretation of magnetic dynamics in the Hubbard, $t$-$J$, and $t$-$J$-$U$ models. The results are discussed in the context of recent resonant inelastic $x$-ray scattering experiments for the high-$T_c$ cuprates.

cond-mat.str-el↗

Universal collective modes from strong electronic correlations: Modified $1/\mathcal{N}_f$ theory with application to high-$T_c$ cuprates

A nonzero-temperature technique for strongly correlated electron lattice systems, combining elements of both variational wave function (VWF) approach and expansion in the inverse number of fermionic flavors ($1/\mathcal{N}_f$), is developed. The departure point, VWF method, goes beyond the renormalized mean-field theory and provides semi-quantitative description of principal equilibrium properties of high-$T_c$ superconducting cuprates. The developed here scheme of VWF+$1/\mathcal{N}_f$, in the leading order provides dynamical spin and charge responses around the VWF solution, generalizing the weak-coupling spin-fluctuation theory to the regime of strong correlations. Thermodynamic corrections to the correlated saddle-point state arise systematically at consecutive orders. Explicitly, VWF+$1/\mathcal{N}_f$ is applied to evaluate dynamical response functions for the hole-doped Hubbard model and compared with available determinant quantum-Monte-Carlo data, yielding a good overall agreement in the regime of coherent collective-mode dynamics. The emergence of well-defined spin and charge excitations from the incoherent continua is explicitly demonstrated and a non-monotonic dependence of the charge-excitation energy on the interaction magnitude is found. The charge-mode energy saturates slowly when approaching the strong-coupling limit, which calls for a reevaluation of the $t$-$J$-model approach to the charge dynamics in favor of more general $t$-$J$-$U$ and $t$-$J$-$U$-$V$ models. The results are also related to recent inelastic resonant $X$-ray and neutron scattering experiments for the high-$T_c$ cuprates.

cond-mat.str-el↗

Unconventional topological superconductivity and phase diagram for an effective two-orbital model as applied to twisted bilayer graphene

We consider the superconducting and Mott-insulating states for the twisted bilayer graphene, modeled as two narrow-band system of electrons with appreciable intraatomic Coulomb interactions. The interaction induces kinetic exchange which leads to real-space, either triplet- or singlet-spin pairing, in direct analogy to heavy-fermions and high-temperature superconductors. By employing the statistically-consistent Gutzwiller method, we construct explicitly the phase diagram as a function of electron concentration for the spin-triplet $d_{x^2 - y^2}+id_{xy}$ paired case, as well as determine the topological edge states. The model reproduces principal features observed experimentally in a semi-quantitative manner. The essential role of electronic correlations in driving both the Mott-insulating and superconducting transitions is emphasized. The transformation of the spin-triplet state into its spin-singlet analogue is also analyzed, as well as the appearance of the phase separated superconducting+Mott-insulating state close to the half filling.

cond-mat.supr-con↗