Self-energy Corrections Research Articles

Josephson current through the SYK model

We calculate the equilibrium Josephson current through a disordered interacting quantum dot described by a Sachdev-Ye-Kitaev model fully contacted by two BCS superconductors, such that all modes of the dot contribute to the coupling, which encodes hopping and spin-flip processes. We show that, at zero temperature and at the conformal limit, i.e. in the strong interacting limit, the Josephson current is suppressed by UU, the strength of the interaction, as ln(U)/U and becomes universal, namely it gets independent on the superconducting gap. At finite temperature, instead, it depends on the ratio between the gap and the temperature. A proximity effect exists but the self-energy corrections induced by the coupling with the superconducting leads seem subleading as compared to the interaction self-energy and the tunneling matrix for large number of particles. Finally we compare the results of the original four-fermion model with those obtained considering zero interaction, two-fermions and a generalized qq-fermion model.

Significant contributions of the Higgs mode and impurity-scattering self-energy corrections to the low-frequency complex conductivity in dc-biased superconducting devices

We investigate the complex conductivity of superconductors under a direct-current (dc) bias based on the well-established Keldysh-Eilenberger formalism of nonequilibrium superconductivity. This robust framework allows us to account for the Higgs mode and impurity-scattering self-energy corrections, which are now known to significantly impact the complex conductivity under a bias dc, especially near the resonance frequency of the Higgs mode. The purpose of this paper is to explore the effects of these contributions on the low-frequency complex conductivity relevant to superconducting device technologies. We begin by nonperturbatively calculating the equilibrium Green’s functions under a bias dc, followed by an analysis of the time-dependent perturbative components. This approach enables us to derive the complex conductivity formula for superconductors ranging from clean to dirty limits, applicable to any bias dc strength. We validate our theoretical approach by reproducing known results and experimentally observed features, such as the characteristic peak in σ1 and the dip in σ2 attributed to the Higgs mode. Our calculations reveal that the Higgs mode and impurity-scattering self-energy corrections significantly affect the complex conductivity even at low frequencies (ℏω≪Δ), relevant to superconducting device technologies. Specifically, we find that the real part of the low-frequency complex conductivity, σ1, exhibits a bias-dependent reduction up to ℏω∼0.1, a much higher frequency than previously considered. This finding allows for the suppression of dissipation in devices by tuning the bias dc. Additionally, through the calculation of the imaginary part of the complex conductivity, σ2, we evaluate the bias-dependent kinetic inductance for superconductors ranging from clean to dirty limits. The bias dependence becomes stronger as the mean free path decreases. Our dirty-limit results coincide with previous studies based on the oscillating superfluid density (the so-called slow experiment) scenario. This widely used scenario can be understood as a phenomenological implementation of the Higgs mode into the kinetic inductance calculation, now justified by our calculation based on the robust theory of nonequilibrium superconductivity, which microscopically treats the Higgs-mode contribution. These results highlight the importance of considering the Higgs mode and impurity-scattering self-energy corrections in the design and optimization of superconducting devices under a bias dc. Published by the American Physical Society 2024

Ward identity preserving approach for investigation of phonon spectrum with self-energy and vertex corrections

Ward identity preserving approach for investigation of phonon spectrum with self-energy and vertex corrections

Excellent thermoelectric properties and significant anisotropy for filled-tetragonal NaZnAs caused by strong anharmonicity

We have theoretically investigated the transport properties of the filled-tetrahedral NaZnAs using first-principles calculations in combination with self-consistent phonon theory and the Boltzmann transport equation. The results show that the transport behavior of NaZnAs exhibits obvious anisotropy, and the influence of quartic anharmonicity on the lattice thermal conductivity cannot be neglected as shown by the thermal conductivity results obtained from different computational models. Both the increase in scattering rates(SRs) and the decrease in group velocity signify a strong anharmonicity. We further find that the special vibrational modes due to the weak bonding of Zn atoms are the main source of anharmonicity. We find that considering the bubble diagram for the phonon self-energy correction reduces the κL by up to 28.04% at 700 K, which favors the capture of large ZT values. In addition, The ZT value of NaZnAs can reach 3.07 at 700 K, which shows great potential for thermoelectric applications.

Isotropization of a longitudinally expanding system of scalar fields in the 2PI formalism

Motivated by isotropization of QCD matter in the initial stages of heavy-ion collisions, we consider a system of scalar fields that undergoes a boost invariant longitudinal expansion. We use the framework of the two-particle irreducible (2PI) effective action, which is close to the underlying quantum field theory, and resum self-energy corrections up to three loops. The resulting 2PI equations of motion are expressed in terms of the Milne coordinates to account for longitudinal expansion. By solving numerically these equations of motion, we can extract the occupation density and the effective mass generated by in-medium interactions. At the largest values of the coupling considered in this study, we observe the onset of isotropization both in the occupation number and in the momentum dependence of the effective mass.

Exciton-Exciton Interactions in Van der Waals Heterobilayers

Exciton-exciton interactions are key to understanding nonlinear optical and transport phenomena in van der Waals heterobilayers, which emerged as versatile platforms to study correlated electronic states. We present a combined theory-experiment study of excitonic many-body effects based on first-principle band structures and Coulomb interaction matrix elements. Key to our approach is the explicit treatment of the fermionic substructure of excitons and dynamical screening effects for density-induced energy renormalization and dissipation. We demonstrate that dipolar blueshifts are almost perfectly compensated by many-body effects, mainly by screening-induced self-energy corrections. Moreover, we identify a crossover between attractive and repulsive behavior at elevated exciton densities. Theoretical findings are supported by experimental studies of spectrally narrow, mobile interlayer excitons in atomically reconstructed, h-BN-encapsulated MoSe2/WSe2 heterobilayers. Both theory and experiment show energy renormalization on a scale of a few meV even for high injection densities in the vicinity of the Mott transition. Our results revise the established picture of dipolar repulsion dominating exciton-exciton interactions in van der Waals heterostructures and open up opportunities for their external design. Published by the American Physical Society 2024

Large-scale multiconfiguration Dirac-Hartree-Fock calculations of atomic data, Landé gj -factors and hyperfine constants of the neutral Rn-211 isotope

We computed the atomic data of ns[K]J ( n = 7, 8, 9), np[K]J ( n = 7, 8, 9), nd[K]J ( n = 6, 7, 8, 9), and nf[K]J ( n = 5, 6, 7, 8) and 5g[K]J autoionized Rydberg spectra of the neutral radon-211 isotope. The computations are carried out by using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF) together with the relativistic configuration (RCI) approach. The convergence of the obtained results is monitored by incorporating relativistic electron-electron correlation, the Breit-interaction effect, self-energy, and vacuum-polarization corrections. As a result, we acquired the energy levels, transition rates, oscillator strengths, Landé gJ -factors and magnetic dipole hyperfine constants. The transition parameters between the levels belonging to different series are computed for all allowed electric dipole transition selection rules. The present results are in very good agreement with other experimental and theoretical data available in the literature database. The present data could be useful in predicting spectral lines of radon via astrophysics and stellar spectroscopy.

QED corrections to the correlated relativistic energy: One-photon processes.

This work is a collection of initial calculations and formal considerations within the Salpeter-Sucher exact equal-time relativistic quantum electrodynamics framework. The calculations are carried out as preparation for the computation of pair, retardation, and radiative corrections to the relativistic energy of correlated two-spin-1/2-fermion systems. In this work, particular attention is paid to the retardation and the "one-loop" self-energy corrections, which are known to be among the largest corrections to the correlated relativistic energy. The theoretical development is supplemented with identifying formal connections to the non-relativistic quantum electrodynamics framework, which is based on a correlated but non-relativistic reference, as well as to the "1/Z approach," which is built on a relativistic but independent-particle zeroth order. The two complementary directions currently provide the theoretical framework for light atomic-molecular precision spectroscopy and heavy-atom phenomena. The present theoretical efforts pave the way for relativistic QED corrections to (explicitly) correlated relativistic computations.

Relativistic atomic structure calculations of Li-like ions used for plasma diagnostic studies

We have carried out atomic structure calculations using systematically enlarged multiconfiguration Dirac-Fock wavefunctions of Li-like ions of the most prominent plasma impurities (Ar, Ti, Fe, Ni, Kr and W) found in presently working tokamaks. Relativistic Breit interaction and quantum electrodynamic (QED) corrections such as vacuum polarization and self-energy corrections are also included in the calculations prior to the evaluation of low lying energy levels, transition probabilities, oscillator strengths and line strengths. Selective radiative data for electric dipole and magnetic quadrupole transitions are also reported. Special emphasis is given in the computations of fundamental quantities such as oscillator strengths as they are widely used in atomic data and analysis structure (ADAS) databases to evaluate quantities such as effective collision strengths. Present computed values are compared with existing available results on NIST database and few similar earlier computations and a good agreement has been found. We believe that the detailed atomic data with the relativistic and QED corrections will assist in spectroscopic studies such as accurate line identification and plasma modelling work in tokamak plasma, laser induced breakdown spectroscopy (LIBS), highly charged ions clocks and astrophysical observations.

Fermion self-energy and damping rate in a hot magnetized plasma

We derive a general expression for the fermion self-energy in a hot magnetized plasma by using the Landau-level representation. In the one-loop approximation, the Dirac structure of the self-energy is characterized by five different functions that depend on the Landau-level index n and the longitudinal momentum pz. We derive general expressions for all five functions and obtain closed-form expressions for their imaginary parts. The latter receive contributions from three types of on shell processes, which are interpreted in terms of Landau-level transitions, accompanied by a single photon (gluon) emission or absorption. By making use of the imaginary parts of the self-energy functions, we also derive the Landau-level dependent fermion damping rates Γn(pz) and study them numerically in a wide range of model parameters. We also demonstrate that the two-spin degeneracy of the Landau levels is lifted by the one-loop self-energy corrections. While the spin splitting of the damping rates is small, it may be important for some spin and chiral effects. We argue that the general method and the numerical results for the rates can have interesting applications in heavy-ion physics, astrophysics, and cosmology, where strongly magnetized QED or QCD plasmas are ubiquitous. Published by the American Physical Society 2024

Large-scale relativistic calculations of spectral data in Zr XXVIII, Nb XXIX and Tc XXXI of tokamak interest

Large-scale relativistic multiconfiguration Dirac–Fock calculations of energy levels and lifetimes of the 206 states arising from the 3s23p, 3p3, 3s3p3d, 3p3d2, 3s24p, 3s24f, 3s3p2, 3s23d, 3s3d2, 3s24d, 3s24s, 3s3p4s, 3s3p4d, 3p23d, 3d3, and 3s3p4p configurations of Zr XXVIII, Nb XXIX, and Tc XXXI of tokamak interest are carried out. The active space approximation is employed for the calculations. To obtain accurate and convergent results, the calculations take into account the valence and core-valence correlations within the n= 9 complex, as well as the Breit interaction, self-energy corrections, and vacuum polarization corrections. Detailed information regarding the decay properties of these ions is provided, including the transition wavelengths, line strengths, and radiative transition rates for various types (electric dipole, electric quadrupole, magnetic dipole, and magnetic quadrupole transitions) of transitions among the levels of the aforementioned configurations. The uncertainties of each dipole transition are evaluated. The present data sets are compared to previous results and a good agreement is observed, which is valuable for emission line identification and fusion modeling, especially in situations where experimental data are scarce.

Fully Dynamic G3W2 Self-Energy for Finite Systems: Formulas and Benchmark.

Over the years, Hedin's GW self-energy has been proven to be a rather accurate and simple approximation to evaluate electronic quasiparticle energies in solids and in molecules. Attempts to improve over the simple GW approximation, the so-called vertex corrections, have been constantly proposed in the literature. Here, we derive, analyze, and benchmark the complete second-order term in the screened Coulomb interaction W for finite systems. This self-energy named G3W2 contains all the possible time orderings that combine 3 Green's functions G and 2 dynamic W. We present the analytic formula and its imaginary frequency counterpart, with the latter allowing us to treat larger molecules. The accuracy of the G3W2 self-energy is evaluated on well-established benchmarks (GW100, Acceptor 24, and Core 65) for valence and core quasiparticle energies. Its link with the simpler static approximation, named SOSEX for static screened second-order exchange, is analyzed, which leads us to propose a more consistent approximation named 2SOSEX. In the end, we find that neither the G3W2 self-energy nor any of the investigated approximations to it improve over one-shot G0W0 with a good starting point. Only quasi-particle self-consistent GW HOMO energies are slightly improved by addition of the G3W2 self-energy correction. We show that this is due to the self-consistent update of the screened Coulomb interaction, leading to an overall sign change of the vertex correction to the frontier quasiparticle energies.

Theoretical study on Mα transition parameters of He-like to C-like cobalt ions

The multi-configuration Dirac–Hartree–Fock method is employed to investigate the Mα transitions of He-like to C-like Co ions. This study encompasses various parameters, such as energy levels, wavelengths, transition rates, oscillator strengths, and line strengths. The Breit interaction, vacuum polarization, and self-energy corrections were included in the computation of energy levels. The computed results we obtained align well with both experimental and theoretical findings. The differences for most energy levels, transition wavelengths, and oscillator strengths are all below 0.6%, 0.8%, and 20%, respectively. The uncertainty estimation method of the transitions of line strength is evaluated using quantitative and qualitative evaluation methods. The resulting accurate and consistent MCDHF data are expected to be useful for theoretical research on cobalt ions.

Chiral kinetic theory with self-energy corrections and neutrino spin Hall effect

We systematically derive the chiral kinetic theory for chiral fermions with collisions, including the self-energy corrections, from quantum field theories. We find that the Wigner functions and chiral kinetic equations receive both the classical and quantum corrections from the self-energies and their spacetime gradients. We also apply this formalism to study nonequilibrium neutrino transport due to the interaction with thermalized electrons and nucleons, as realized in core-collapse supernovae. We derive neutrino currents along magnetic fields and neutrino spin Hall effect induced by the density gradient at first order in the Fermi constant GF for anisotropic neutrino distributions. Published by the American Physical Society 2024

Spin polarization and spin alignment from quantum kinetic theory with self-energy corrections

We derive the quantum kinetic theory for massive fermions with collision terms and self-energy corrections based on quantum field theory. We adopt an effective power-counting scheme with ℏ expansion to obtain the leading-order perturbative solutions of the vector and axial Wigner functions and the corresponding kinetic equations. We observe that both the on-shell relation and the structure of Wigner functions, along with the kinetic equations, are modified due to the presence of self-energies and their spacetime gradients. We further apply our formalism to investigate the spin polarization phenomena in relativistic heavy ion collisions and derive the modification to the spin polarization spectrum of massive quarks. We find that the gradient of vector self-energy plays a similar role to the background electromagnetic fields, which induces a more dominant contribution than the collisional effects by a naive power counting in the gradient expansion and weak coupling. Our findings could further modify the spin polarization of strange quarks and the spin alignment of ϕ mesons beyond local thermal equilibrium. Published by the American Physical Society 2024

Nonperturbative theory for the QED corrections to elastic electron-nucleus scattering

A potential for the vertex and self-energy correction is derived from the first-order Born theory. The inclusion of this potential in the Dirac equation, together with the Uehling potential for vacuum polarization, allows for a nonperturbative treatment of these quantum electrodynamical effects within the phase-shift analysis. Investigating the 12C and 208Pb targets, a considerable deviation of the respective cross section change from the Born results is found for the heavier target. It is shown that at low impact energies the dispersion effects play no role. Estimates for the correction to the beam-normal spin asymmetry and its accuracy at 5 MeV (for 208Pb and 197Au) are also provided.

Self-energy correction and numerical simulation for efficient lead-free double perovskite solar cells.

Inorganic double perovskites have garnered significant attention due to their desirable characteristics, such as low-toxicity, stability and long charge-carrier lifetimes. However, most double perovskites, especially Cs2AgBiBr6, have wide bandgaps, which limits power conversion efficiencies. In this work, through the first principles method corrected by self-energy, we investigate the mechanical, electric and optical properties of Cs2B'B''Br6 (B' = Ag, Au, Cu; B'' = Bi, Al, Sb, In). Based on performance screening, three kinds of materials with good toughness, high carrier mobility and wide visible-light absorption (around 105 cm-1) are obtained, which are compared with Cs2AgBiBr6. Meanwhile, we use a SACPS-1D simulation to design lead-free double perovskites with excellent properties suitable for photovoltaic solar cell devices, which are made into a planar perovskite heterojunction. Ultimately, the optimal structure is determined to be FTO/WS2/Cs2CuBiBr6/spiro-OMeTAD/Ag, which achieves a power conversion efficiency of 14.08%, surpassing the conventional structure efficiency of 6.1%. It provides valuable guidance for the structure design of a lead-free double perovskite device and offers new insights into the development of optoelectronic devices for solar energy utilization.

On valley asymmetry in a topological interaction for quasi-particles

This paper is focused on investigating the effects of a statistical interaction for graphene-like systems, providing Haldane-like properties for topologically trivial lattices. The associated self-energy correction yields an effective next-nearest hopping, inducing the topological phase, whose specific solutions are scrutinized. In the case of an external magnetic field, it leads to a renormalized quasi-particle structure with generalized Landau levels and explicit valley asymmetry. A suitable tool for implementing such achievements is a judicious indefinite metric quantization, leading to advances in field theory foundations. Since the topological behavior is encoded in the radiative corrections, an unequivocal treatment using an integral representation is carefully developed.

Phonon Self-Energy Corrections: To Screen, or Not to Screen

Phonon Self-Energy Corrections: To Screen, or Not to Screen

Larmor precession in strongly correlated itinerant electron systems

Many-electron systems undergo a collective Larmor precession in the presence of a magnetic field. In a paramagnetic metal, the resulting spin wave provides insight into the correlation effects generated by the electron-electron interaction. Here, we use dynamical mean-field theory to investigate the collective Larmor precession in the strongly correlated regime, where dynamical correlation effects such as quasiparticle lifetimes and non-quasiparticle states are essential. We study the spin excitation spectrum, which includes a dispersive Larmor mode as well as electron-hole excitations that lead to Stoner damping. We also extract the momentum-resolved damping of slow spin waves. The accurate theoretical description of these phenomena relies on the Ward identity, which guarantees a precise cancellation of self-energy and vertex corrections at long wavelengths. Our findings pave the way towards a better understanding of spin wave damping in correlated materials.