arXiv subjects

R. S. Markiewicz

Publications and source records attributed to R. S. Markiewicz.

At least 55 records · Page 3Linked to original sources

arXiv2010

Induced superconductivity in noncuprate layers of the Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ high-temperature superconductor: Modeling of scanning tunneling spectra

We analyze how the coherence peaks observed in Scanning Tunneling Spectroscopy (STS) of cuprate high temperature superconductors are transferred from the cuprate layer to the oxide layers adjacent to the STS microscope tip. For this purpose, we have carried out a realistic multiband calculation for the superconducting state of Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212) assuming a short range d-wave pairing interaction confined to the nearest-neighbor Cu $d_{x^2-y^2}$ orbitals. The resulting anomalous matrix elements of the Green's function allow us to monitor how pairing is then induced not only within the cuprate bilayer but also within and across other layers and sites. The symmetry properties of the various anomalous matrix elements and the related selection rules are delineated.

cond-mat.supr-con↗

arXiv2010

Spin canting as a result of the competition between stripes and spirals in cuprates

Based on the extended Hubbard model we calculate the energy of stripe and spiral ground states. We find that uniform spirals get favored by a large $t'/t$ ratio but are unstable at small doping towards stripes and checkerboard textures with spin canting. The structure of these inhomogeneities also depends on t'/t and the associated spin currents may induce a small lattice distortion associated with local dipole moments. We discuss a new kind of stripe which appears as a domain wall of the antiferromagnetic (AF) order parameter with a fractional change of the phase of the AF order. For large |t'/t| spirals can be stabilized under certain conditions in the overdoped regime which may explain the elastic incommensurate magnetic response recently observed in iron-codoped Bi2201 materials.

cond-mat.str-el↗

arXiv2010

Failure of t-J models in describing doping evolution of spectral weight in x-ray scattering, optical and photoemission spectra of the cuprates

We have analyzed experimental evidence for an anomalous transfer of spectral weight from high to low energy scales in both electron and hole doped cuprates as a function of doping. X-ray scattering, optical and photoemission spectra are all found to show that the high energy spectral weight decreases with increasing doping at a rate much faster than predictions of the large $U-$limit calculations. The observed doping evolution is however well-described by an intermediate coupling scenario where the effective Hubbard $U$ is comparable to the bandwidth. The experimental spectra across various spectroscopies are inconsistent with fixed-$U$ exact diagonalization or quantum Monte Carlo calculations, and suggest a significant doping dependence of the effective $U$ in the cuprates.

cond-mat.supr-con↗

arXiv2010

Single-Dirac-Cone topological surface states in TlBiSe2 class of Topological Insulators

We have investigated several strong spin-orbit coupling ternary chalcogenides related to the (Pb,Sn)Te series of compounds. Our first-principles calculations predict the low temperature rhombohedral ordered phase in TlBiTe2, TlBiSe2, and TlSbX2 (X=Te, Se, S) to be topologically Kane-Mele Z2 = -1 nontrivial. We identify the specific surface termination that realizes the single Dirac cone through first-principles surface state computations. This termination minimizes effects of dangling bonds making it favorable for photoemission (ARPES) experiments. Our analysis predicts that thin films of these materials would harbor novel 2D quantum spin Hall states, and support odd-parity topological superconductivity. For a related work also see arXiv:1003.2615v1. Experimental ARPES results will be published elsewhere.

cond-mat.mes-hall↗

arXiv2010

Emergence of non-Fermi-liquid behavior due to Fermi surface reconstruction in the underdoped cuprate superconductors

We present an intermediate coupling scenario together with a model analytic solution where the non-Fermi-liquid behavior in the underdoped cuprates emerges through the mechanism of Fermi surface (FS) reconstruction. Even though the fluctuation spectrum remains nearly isotropic, FS reconstruction driven by a density wave order breaks the lattice symmetry and induces a strong momentum dependence in the self-energy. As the doping is reduced to half-filling, we find that quasiparticle (QP) dispersion becomes essentially unrenormalized, but in sharp contrast the QP spectral weight renormalizes to nearly zero. This opposite doping evolution of the renormalization factors for QP dispersion and spectral weight conspires in such a way that the specific heat remains Fermi liquid like at all dopings in accord with experiments.

cond-mat.supr-con↗

arXiv2010

Single-Dirac-Cone topological surface states on pseudo-IV-VI-semimetal/semiconductors: Thallium-based III-V-VI2 Ternary Chalcogenides

We have investigated several classes of strong spin-orbit chalcogenides related to the (Pb,Sn)Te series studied in connection with the Dirac fermion physics in the 1980s. Our first-principle theoretical calculations suggest that ternary chalcogenides TlBiX$_2$ and TlSbX$_2$ (X=Te, Se, S) series harbor small bandgap topological insulators with single Dirac cone on some selective surfaces whereas the isostructural and isoelectronic silver-based AgBiX$_2$ and AgSbX$_2$ (X=Te, Se, S) series do not. We find that several Tl-compounds are in the vicinity of a topological critical point. We identify the precise surface termination that realizes the single Dirac cone. The single-Dirac-cone surface is shown to be correlated with a termination that minimizes dangling bonding effects favorable for ARPES experiments. Our results further suggest that this class of topological semi-metals may harbor odd-parity topological superconductors similar to the possibility proposed for CuxBi2Se3 (T_c ~ 4K).

cond-mat.mes-hall↗

arXiv2010

Optical model-solution to the competition between a pseudogap phase and a Mott-gap phase in high-temperature cuprate superconductors

We present a theoretical framework for a quantitative understanding of the full doping dependence of the optical spectra of the cuprates. In accord with experimental observations, the computed spectra show how the high-energy Mott features continue to persist in the overdoped regime even after the mid-infrared (MIR) peak originating from the pseudogap has collapsed in a quantum critical point. In this way, we reconcile the opposing tendencies of the MIR and Mott peaks to shift in opposite directions in the optical spectra with increasing doping. The competition between the pseudogap and the Mott gap also results in rapid loss of spectral weight in the high energy region with doping.

cond-mat.supr-con↗

arXiv2010

Proposal to determine the Fermi-surface topology of a doped iron-based superconductor using bulk-sensitive Fourier-transform Compton scattering

We have carried out first-principles calculations of the Compton scattering spectra to demonstrate that the filling of the hole Fermi surface in LaO$_{1-x}$F$_{x}$FeAs produces a distinct signature in the Fourier transformed Compton spectrum when the momentum transfer vector lies along the [100] direction. We thus show how the critical concentration $x_c$, where hole Fermi surface pieces are filled up and the superconductivity mediated by antiferromagnetic spin fluctuations is expected to be suppressed, can be obtained in a bulk-sensitive manner.

cond-mat.str-el↗

arXiv2010

High resolution Compton scattering as a Probe of the Fermi surface in the Iron-based superconductor $LaO_{1-x}F_xFeAs$

We have carried out first principles all-electron calculations of the (001)-projected 2D electron momentum density and the directional Compton profiles along the [100], [001] and [110] directions in the Fe-based superconductor LaOFeAs within the framework of the local density approximation. We identify Fermi surface features in the 2D electron momentum density and the directional Compton profiles, and discuss issues related to the observation of these features via Compton scattering experiments.

cond-mat.str-el↗

arXiv2010

Intermediate coupling model of cuprates: adding fluctuations to a weak coupling model of pseudogap and superconductuctivity competition

We demonstrate that many features ascribed to strong correlation effects in various spectroscopies of the cuprates are captured by a calculation of the self-energy incorporating effects of spin and charge fluctuations. The self energy is calculated over the full doping range from half filling to the overdoped system. In the normal state, the spectral function reveals four subbands: two widely split incoherent bands representing the remnant of the two Hubbard bands, and two additional coherent, spin- and charge-dressed in-gap bands split by a spin-density wave, which collapses in the overdoped regime. The resulting coherent subbands closely resemble our earlier mean-field results. Here we present an overview of the combined results of our mean-field calculations and the newer extensions into the intermediate coupling regime.

cond-mat.supr-con↗

arXiv2009

Non-monotonic Fermi surface evolution and its correlation with stripe ordering in bilayer manganites

In correlated electron systems such as cuprate superconductors and colossal magnetoresistive (CMR) oxides there is often a tendency for a nanoscale self-organization of electrons that can give rise to exotic properties and to extreme non-linear responses. The driving mechanisms for this self-organization are highly debated, especially in the CMR oxides in which two types of self-organized stripes of charge and orbital order coexist with each other. By utilizing angle-resolved photoemission spectroscopy measurements over a wide doping range, we show that one type of stripe is exclusively linked to long flat portions of nested Fermi surface, while the other type prefers to be commensurate with the real space lattice but also may be driven away from this by the Fermi surface. Complementarily, the Fermi surface also appears to be driven away from its non-interacting value at certain doping levels, giving rise to a host of unusual electronic properties.

cond-mat.str-el↗

arXiv2009

Origin of the high-energy kink or the waterfall effect in the photoemission spectrum of the ${\rm Bi_2Sr_2CaCu_2O_8}$ high-temperature superconductor

The high-energy kink or the waterfall effect seen in the photoemission spectra of the cuprates is suggestive of the coupling of the quasiparticles to a high energy bosonic mode with implications for the mechanism of superconductivity. Recent experiments however indicate that this effect may be an artifact produced entirely by the matrix element effects, i.e. by the way the photoemitted electron couples to the incident photons in the emission process. In order to address this issue directly, we have carried out realistic computations of the photo-intensity in ${\rm Bi_2Sr_2CaCu_2O_8}$ (Bi2212) where the effects of the matrix element are included together with those of the corrections to the self-energy resulting from electronic excitations. Our results demonstrate that while the photoemission matrix element plays an important role in shaping the spectra, the waterfall effect is a clear signature of the presence of strong coupling of quasiparticles to electronic excitations.

cond-mat.supr-con↗

arXiv2008

Magnetic mechanism of quasiparticle pairing in hole-doped cuprate superconductors

We have computed alpha^2F's for the hole-doped cuprates within the framework of the one-band Hubbard model, where the full magnetic response of the system is treated properly. The d-wave pairing weight alpha^2F_d is found to contain not only a low energy peak due to excitations near (pi,pi) expected from neutron scattering data, but to also display substantial spectral weight at higher energies due to contributions from other parts of the Brillouin zone as well as pairbreaking ferromagnetic excitations at low energies. The resulting solutions of the Eliashberg equations yield transition temperatures and gaps comparable to the experimentally observed values, suggesting that magnetic excitations of both high and low energies play an important role in providing the pairing glue in the cuprates.

cond-mat.supr-con↗

arXiv2008

Appearance of Universal Metallic Dispersion in a Doped Mott Insulator

We have investigated the dispersion renormalization $Z_{disp}$ in La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) over the wide doping range of $x=0.03-0.30$, for binding energies extending to several hundred meV's. Strong correlation effects conspire in such a way that the system exhibits an LDA-like dispersion which essentially `undresses' ($Z_{disp}\to 1$) as the Mott insulator is approached. Our finding that the Mott insulator contains `nascent' or `preformed' metallic states with a vanishing spectral weight offers a challenge to existing theoretical scenarios for cuprates.

cond-mat.str-el↗

arXiv2008

Strong correlation effects and optical conductivity in electron doped cuprates

We demonstrate that most features ascribed to strong correlation effects in various spectroscopies of the cuprates are captured by a calculation of the self-energy incorporating effects of spin and charge fluctuations. The self energy is calculated over the full doping range of electron-doped cuprates from half filling to the overdoped system. The spectral function reveals four subbands, two widely split incoherent bands representing the remnant of the split Hubbard bands, and two additional coherent, spin- and charge-dressed in-gap bands split by a spin-density wave, which collapses in the overdoped regime. The incoherent features persist to high doping, producing a remnant Mott gap in the optical spectra, while transitions between the in-gap states lead to pseudogap features in the mid-infrared.

cond-mat.supr-con↗

arXiv2008

A competing order scenario of two-gap behavior in hole doped cuprates

Angle-dependent studies of the gap function provide evidence for the coexistence of two distinct gaps in hole doped cuprates, where the gap near the nodal direction scales with the superconducting transition temperature $T_c$, while that in the antinodal direction scales with the pseudogap temperature. We present model calculations which show that most of the characteristic features observed in the recent angle-resolved photoemission spectroscopy (ARPES) as well as scanning tunneling microscopy (STM) two-gap studies are consistent with a scenario in which the pseudogap has a non-superconducting origin in a competing phase. Our analysis indicates that, near optimal doping, superconductivity can quench the competing order at low temperatures, and that some of the key differences observed between the STM and ARPES results can give insight into the superlattice symmetry of the competing order.

cond-mat.supr-con↗

arXiv2008

Resonant Inelastic X-ray Scattering (RIXS) Spectra for Ladder Cuprates

The ladder compound Sr$_{14}$Cu$_{24}$O$_{41}$ is of interest both as a quasi-one-dimensional analog of the superconducting cuprates and as a superconductor in its own right when Sr is substituted by Ca. In order to model resonant inelastic x-ray scattering (RIXS) spectra for this compound, we investigate the simpler SrCu$_{2}$O$_{3}$ system in which the crystal structure contains very similar ladder planes. We approximate the LDA dispersion of SrCu$_{2}$O$_{3}$ by a Cu only two-band tight-binding model. Strong correlation effects are incorporated by assuming an anti-ferromagnetic ground state. The available angle-resolved photoemission (ARPES) and RIXS data on the ladder compound are found to be in reasonable accord with our theoretical predictions.

cond-mat.str-el↗

arXiv2007

Superconductivity and topological Fermi surface transitions in electron-doped cuprates near optimal doping

We discuss evolution of the Fermi surface (FS) topology with doping in electron doped cuprates within the framework of a one-band Hubbard Hamiltonian, where antiferromagnetism and superconductivity are assumed to coexist in a uniform phase. In the lightly doped insulator, the FS consists of electron pockets around the $(π,0)$ points. The first change in the FS topology occurs in the optimally doped region when an additional hole pocket appears at the nodal point. The second change in topology takes place in the overdoped regime ($\sim18%$) where antiferromagnetism disappears and a large $(π,π)$-centered metallic FS is formed. Evidence for these two topological transitions is found in recent Hall effect and penetration depth experiments on Pr$_{2-x}$Ce$_{x}$CuO$_{4-δ}$ (PCCO) and with a number of spectroscopic measurements on Nd$_{2-x}$Ce$_{x}$CuO$_{4-δ}$ (NCCO).

cond-mat.supr-con↗