Using the momentum average approximation we study the importance of adding higher-than-linear terms in the electron-phonon coupling on the properties of single polarons described by a generalized Holstein model. For medium and strong linear coupling,
even small quadratic electron-phonon coupling terms are found to lead to very significant quantitative changes in the properties of the polaron, which cannot be captured by a linear Holstein Hamiltonian with renormalized parameters. We argue that the bi-polaron phase diagram is equally sensitive to addition of quadratic coupling terms if the linear coupling is large. These results suggest that the linear approximation is likely to be inappropriate to model systems with strong electron-phonon coupling, at least for low carrier concentrations.
We present a unified interpretation of experimentally observed magnetic circular dichroism (MCD) in the ferromagnetic semiconductor (Ga,Mn)As, based on theoretical arguments, which demonstrates that MCD in this material arises primarily from a differ
ence in the density of spin-up and spin-down states in the valence band brought about by the presence of the Mn impurity band, rather than being primarily due to the Zeeman splitting of electronic states.
We simulate spectral functions for electron-phonon coupling in a filled band system - far from the asymptotic limit often assumed where the phonon energy is very small compared to the Fermi energy in a parabolic band and the Migdal theorem predicting
1+lambda quasiparticle renormalizations is valid. These spectral functions are examined over a wide range of parameter space through techniques often used in angle-resolved photoemission spectroscopy (ARPES). Analyzing over 1200 simulations we consider variations of the microscopic coupling strength, phonon energy and dimensionality for two models: a momentum-independent Holstein model, and momentum-dependent coupling to a breathing mode phonon. In this limit we find that any `effective coupling, lambda_eff, inferred from the quasiparticle renormalizations differs from the microscopic dimensionless coupling characterizing these Hamiltonians, lambda, and could drastically either over- or under-estimate it depending on the particular parameters and model. In contrast, we show that perturbation theory retains good predictive power for low coupling and small momenta, and that the momentum-dependence of the self-energy can be revealed via the relationship between velocity renormalization and quasiparticle strength. Additionally we find that (although not strictly valid) it is often possible to infer the self-energy and bare electronic structure through a self-consistent Kramers-Kronig bare-band fitting; and also that through lineshape alone, when Lorentzian, it is possible to reliably extract the shape of the imaginary part of a momentum-dependent self-energy without reference to the bare-band.
We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin orbit interaction. Our results corroborate with previous work performed with the Momentum Average approxim
ation and with weak coupling perturbation theory. We find that spin orbit coupling increases the effective mass in the regime with weak electron phonon coupling, and decreases the effective mass in the intermediate and strong electron phonon coupling regime. Analytical strong coupling perturbation theory results confirm our numerical results in the small polaron regime. A large amount of spin orbit coupling can lead to a significant lowering of the polaron effective mass.
We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities,
surfaces or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories.
We examine multiple techniques for extracting information from angle-resolved photoemission spectroscopy (ARPES) data, and test them against simulated spectral functions for electron-phonon coupling. We find that, in the low-coupling regime, it is po
ssible to extract self-energy and bare-band parameters through a self-consistent Kramers-Kronig bare-band fitting routine. We also show that the effective coupling parameters deduced from the renormalization of quasiparticle mass, velocity, and spectral weight are momentum dependent and, in general, distinct from the true microscopic coupling; the latter is thus not readily accessible in the quasiparticle dispersion revealed by ARPES.
We construct a semi-microscopic theory, to describe the optical conductivity of GaMnAs in the dilute limit, x = 1%. We construct an effective Hamiltonian that captures inside-impurity band optical transitions as well as transitions between the valenc
e band and the impurity band. All parameters of the Hamiltonian are computed from microscopic variational calculations. We find a metal-insulator transition within the impurity band in the concentration range, x = 0.2 -0.3 for uncompensated and x = 1-3% for compensated samples, in good agreement with the experiments. We find an optical mass m_opt = m_e, which is almost independent of the impurity concentration excepting in the vicinity of the metal-insulator transition, where it reaches values as large as m_opt = 10 m_e. We also reproduce a mid-infrared peak at hbar omega = 200 meV, which redshifts upon doping, in quantitative agreement with the experiments.
The distribution of holes in Sr$_{14-x}$Ca$_x$Cu$_{24}$O$_{41}$ (SCCO) is revisited with semi-emperical reanalysis of the x-ray absorption (XAS) data and exact-diagonalized cluster calculations. A new interpretation of the XAS data leads to much larg
er ladder hole densities than previously suggested. These new hole densities lead to a simple interpretation of the hole crystal (HC) recently reported with 1/3 and 1/5 wave vectors along the ladder. Our interpretation is consistent with paired holes in the rung of the ladders. Exact diagonalization results for a minimal model of the doped ladders suggest that the stabilization of spin structures consisting of 4 spins in a square plaquette as a result of resonance valence bond (RVB) physics suppresses the hole crystal with a 1/4 wave vector.
