Polaron in t-J model

We present numeric results for ground state and angle resolved photoemission spectra (ARPES) for single hole in t-J model coupled to optical phonons. The systematic-error free diagrammatic Monte Carlo is employed where the Feynman graphs for the Matsubara Green function in imaginary time are summed up completely with respect to phonons variables, while magnetic variables are subjected to non-crossing approximation. We obtain that at electron-phonon coupling constants relevant for high Tc cuprates the polaron undergoes self-trapping crossover to strong coupling limit and theoretical ARPES demonstrate features observed in experiment: a broad peak in the bottom of the spectra has momentum dependence which coincides with that of hole in pure t-J model.Comment: 4 pages, 4 figure

Theoretical search for superconductivity in Sc3XB perovskites and weak ferromagnetism in Sc3X (X = Tl, In, Ga, Al)

A possibility for a new family of intermetallic perovskite superconductors Sc3XB, with X = Tl, In, Ga and Al, is presented as a result of KKR electronic structure and pseudopotential phonon calculations. The large values of computed McMillan--Hopfield parameters on scandium suggest appearance of superconductivity in Sc3XB compounds. On the other hand, the possibility of weak itinerant ferromagnetic behavior of Sc3X systems is indicated by the small magnetic moment on Sc atoms in two cases of X =~ l and In. Also the electronic structure and resulting superconducting parameters for more realistic case of boron--deficient systems Sc3XB_x are computed using KKR--CPA method, by replacing boron atom with a vacancy. The comparison of the calculated McMillan--Hopfield parameters of the Sc3XB series with corresponding values in MgCNi3 and YRh3B superconductors is given, finding the favorable trends for superconductivity.Comment: 13 pages, 13 figures. v3 - revise

Electron-phonon coupling and phonon self-energy in MgB2_2: do we really understand MgB2_2 Raman spectra ?

We consider a model Hamiltonian fitted on the ab-initio band structure to describe the electron-phonon coupling between the electronic $\sigma-$bands and the phonon E$_{2g}$ mode in MgB$_2$. The model allows for analytical calculations and numerical treatments using very large k-point grids. We calculate the phonon self-energy of the E$_{2g}$ mode along two high symmetry directions in the Brillouin zone. We demonstrate that the contribution of the $\sigma$ bands to the Raman linewidth of the E$_{2g}$ mode via the electron-phonon coupling is zero. As a consequence the large resonance seen in Raman experiments cannot be interpreted as originated from the $E_{2g}$ mode at $\Gamma$. We examine in details the effects of Fermi surface singularities in the phonon spectrum and linewidth and we determine the magnitude of finite temperature effects in the the phonon self-energy. From our findings we suggest several possible effects which might be responsible for the MgB$_2$ Raman spectra.Comment: 10 pages, 9 figure

Measurement of an Exceptionally Weak Electron-Phonon Coupling on the Surface of the Topological Insulator Bi2_2Se3_3 Using Angle-Resolved Photoemission Spectroscopy

Gapless surface states on topological insulators are protected from elastic scattering on non-magnetic impurities which makes them promising candidates for low-power electronic applications. However, for wide-spread applications, these states should have to remain coherent at ambient temperatures. Here, we studied temperature dependence of the electronic structure and the scattering rates on the surface of a model topological insulator, Bi$_2$Se$_3$, by high resolution angle-resolved photoemission spectroscopy. We found an extremely weak broadening of the topological surface state with temperature and no anomalies in the state's dispersion, indicating exceptionally weak electron-phonon coupling. Our results demonstrate that the topological surface state is protected not only from elastic scattering on impurities, but also from scattering on low-energy phonons, suggesting that topological insulators could serve as a basis for room temperature electronic devices.Comment: published version, 5 pages, 4 figure

Calculation of overdamped c-axis charge dynamics and the coupling to polar phonons in cuprate superconductors

In our recent paper we presented empirical evidences suggesting that electrons in cuprate superconductors are strongly coupled to unscreened c-axis polar phonons. In the overdoped regime the c-axis metallizes and we present here simple theoretical arguments demonstrating that the observed effect of the metallic c-axis screening on the polar electron-phonon coupling is consistent with a strongly overdamped c-axis charge dynamics in the optimally doped system, becoming less dissipative in the overdoped regime.Comment: 6 pages, 1 figure. to be published in Phys. Rev.

Electron-phonon coupling and electron self-energy in electron-doped graphene: calculation of angular resolved photoemission spectra

We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from density functional theory simulations. From the electron self-energies we calculate angle resolved photoemission spectra. We demonstrate that the measured kink at $\approx -0.2$ eV from the Fermi level is actually composed of two features, one at $\approx -0.195$ eV due to the twofold degenerate E$_{2g}$ mode, and a second one at $\approx -0.16$ eV due to the A$_{1}^{'}$ mode. The electron-phonon coupling extracted from the kink observed in ARPES experiments is roughly a factor of 5.5 larger than the calculated one. This disagreement can only be partially reconciled by the inclusion of resolution effects. Indeed we show that a finite resolution increases the apparent electron-phonon coupling by underestimating the renormalization of the electron velocity at energies larger than the kinks positions. The discrepancy between theory and experiments is thus reduced to a factor of $\approx$ 2.2. From the linewidth of the calculated ARPES spectra we obtain the electron relaxation time. A comparison with available experimental data in graphene shows that the electron relaxation time detected in ARPES is almost two orders of magnitudes smaller than what measured by other experimental techniques.Comment: 9 pages, 7 figures, see also Matteo Calandra and Francesco Mauri, arXiv:0707.149

Electronic band structure, Fermi surface, and elastic properties of new 4.2K superconductor SrPtAs from first-principles calculations

The hexagonal phase SrPtAs (s.g. P6/mmm; #194) with a honeycomb lattice structure very recently was declared as a new low-temperature (TC ~ 4.2K) superconductor. Here by means of first-principles calculations the optimized structural parameters, electronic bands, Fermi surface, total and partial densities of states, inter-atomic bonding picture, independent elastic constants, bulk and shear moduli for SrPtAs were obtained for the first time and analyzed in comparison with the related layered superconductor SrPt2As2.Comment: 8 pages, 4 figure

A Study of Carbon Substitutions in MgB_2 within the two-band Eliashberg theory

We study the effects of C substitutions in MgB_2 within the two-band model in the Eliashberg formulation. We use as input the B-B stretching-mode frequency and the partial densities of states N_{sigma}(EF) and N_{pi}(EF), recently calculated for Mg(B_{1-x}C_{x})_2 at various x values from first-principles density functional methods. We then take the prefactor in the Coulomb pseudopotential matrix, mu, and the interband scattering parameter, Gamma^{sigma pi}, as the only adjustable parameters. The dependence on the C content of Tc and of the gaps (Delta_{sigma} and Delta_{pi}) recently measured in Mg(B_{1-x}C_{x})_2 single crystals indicate an almost linear decrease of mu on increasing x, with an increase in interband scattering that makes the gaps merge at x=0.132. In polycrystals, instead, where the gap merging is not observed, no interband scattering is required to fit the experimental data.Comment: 7 pages, 8 figures, RevTex4. Detailed discussion of the results adde

Pauli susceptibility of nonadiabatic Fermi liquids

The nonadiabatic regime of the electron-phonon interaction leads to behaviors of some physical measurable quantities qualitatively different from those expected from the Migdal-Eliashberg theory. Here we identify in the Pauli paramagnetic susceptibility $\chi$ one of such quantities and show that the nonadiabatic corrections reduce $\chi$ with respect to its adiabatic limit. We show also that the nonadiabatic regime induces an isotope dependence of $\chi$, which in principle could be measured.Comment: 7 pages, 3 figures, euromacr.tex, europhys.sty. Replaced with accepted version (Europhysics Letters

A spectral function tour of electron-phonon coupling outside the Migdal limit

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.Comment: 15 pages, 11 figures. High resolution available here: http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/sf_tour.pd