arXiv subjects

N. Mannella

Publications and source records attributed to N. Mannella.

At least 19 recordsLinked to original sources

arXiv2026

A DQMC study of the spectral and conductive properties of the two-dimensional Holstein model

We study the dynamical properties of the two-dimensional square lattice Holstein Hamiltonian using numerically exact determinant quantum Monte Carlo simulations. In particular, we report systematic calculations of the model's single-particle spectral function and optical conductivity over a range of phonon energies, electron-phonon coupling strengths, carrier concentrations, and temperatures. In doing so, we map the evolution of the system from a dressed metallic phase to a (bi)polaron liquid/insulator to a charge-density-wave insulator as the carrier concentration is tuned from dilute values to half-filling. We corroborate these results using several equal-time correlation measurements and related proxy quantities reconstructed from time-displaced correlation measurements. This paper is also accompanied by an extensive open data set, covering over 16,640 unique parameter values.

cond-mat.str-el↗

arXiv2021

Disentangling Electronic, Lattice and Spin Dynamics in the Chiral Helimagnet Cr1/3NbS2

We investigate the static and ultrafast magneto-optical response of the hexagonal chiral helimagnet $Cr_{1/3}NbS_{2}$ above and below the helimagnetic ordering temperature. The presence of a magnetic easy plane contained within the crystallographic ab-plane is confirmed, while degenerate optical pump-probe experiments reveal significant differences in the dynamic between the parent, $NbS_{2}$, and Cr-intercalated compounds. Time resolved magneto-optical Kerr effect measurements show a two-step demagnetization process, where an initial, sub-ps relaxation and subsequent buildup ($τ> 50$ ps) in the demagnetization dynamic scale similarly with increasing pump fluence. Despite theoretical evidence for partial gapping of the minority spin channel, suggestive of possible half metallicity in $Cr_{1/3}NbS_{2}$, such a long demagnetization dynamic likely results from spin lattice-relaxation as opposed to minority state blocking. However, comparison of the two-step demagnetization process in $Cr_{1/3}NbS_{2}$ with other 3d intercalated transition metal dichalcogenides reveals a behavior that is unexpected from conventional spin-lattice relaxation, and may be attributed to the complicated interaction of local moments with itinerant electrons in this material system.

cond-mat.mtrl-sci↗

arXiv2020

The nature of ferromagnetism in the chiral helimagnet $Cr_{1/3}NbS_{2}$

The chiral helimagnet, $Cr_{1/3}NbS_{2}$, hosts exotic spin textures, whose influence on the magneto-transport properties, make this material an ideal candidate for future spintronic applications. To date, the interplay between macroscopic magnetic and transport degrees of freedom is believed to result from a reduction in carrier scattering following spin order. Here, we present electronic structure measurements through the helimagnetic transition temperature, $T_{C}$ that challenges this view by showing a Fermi surface comprised of strongly hybridized Nb- and Cr- derived electronic states, and spectral weight in proximity to the Fermi level to anomalously increases as temperature is lowered below $T_{C}$. These findings are rationalized on the basis of first principle, density functional theory calculations, which reveal a large nearest-neighbor exchange energy, suggesting the interaction between local spin moments and hybridized Nb- and Cr- derived itinerant states to go beyond the perturbative interaction of Ruderman-Kittel-Kasuya-Yosida, suggesting instead a mechanism rooted in a Hund's exchange interaction.

cond-mat.mtrl-sci↗

arXiv2015

Spectroscopic Evidence for Strong Quantum Spin Fluctuations with Itinerant Character in YFe2Ge2

We report x-ray absorption and photoemission spectroscopy of the electronic structure in the normal state of metallic YFe2Ge2. The data reveal evidence for large fluctuating spin moments on the Fe sites, as indicated by exchange multiplets appearing in the Fe 3s core level photoemission spectra, even though the compound does not show magnetic order. The magnitude of the multiplet splitting is comparable to that observed in the normal state of the Fe-pnictide superconductors. This shows a connection between YFe2Ge2 and the Fe-based superconductors even though it contains neither pnictogens nor chalcogens. The implication is that the chemical range of compounds showing at least one of the characteristic magnetic signatures of the Fe-based superconductors is broader than previously thought.

cond-mat.supr-con↗

arXiv2012

A direct probe of the variability of Coulomb correlation in Fe-pnictide superconductors

We use core-valence-valence (CVV) Auger spectra to probe the Coulomb repulsion between holes in the valence band of Fe pnictide superconductors. By comparing the two-hole final state spectra to density functional theory calculations of the single particle density of states, we extract a measure of the electron correlations that exist in these systems. Our results show that the Coulomb repulsion is highly screened and can definitively be considered as weak. We also find that there are differences between the 1111 and 122 families and even a small variation as a function of the doping, x, in Ba(Fe1 xCox)2As2. We discuss how the values of the hole-hole Coulomb repulsion obtained from our study relate to the onsite Coulomb parameter "U" used in model and first principles calculations based on dynamical mean field theory, and establish an upper bound for its effective value. Our results impose stringent constraints on model based phase diagrams

cond-mat.supr-con↗

arXiv2012

Itinerant electrons, local moments, and magnetic correlations in pnictides high temperature superconductors

A direct and element-specific measurement of the local Fe spin moment has been provided by analyzing the Fe 3s core level photoemission spectra in the parent and optimally doped CeFeAsO1-xFx (x = 0, 0.11) and Sr(Fe1 xCox)2As2 (x = 0, 0.10) pnictides. The rapid time scales of the photoemission process allowed the detection of large local spin moments fluctuating on a 10-15 s time scale in the paramagnetic, anti-ferromagnetic and superconducting phases, indicative of the occurrence of ubiquitous strong Hund's magnetic correlations. The magnitude of the spin moment is found to vary significantly among different families, 1.3 \muB in CeFeAsO and 2.1 \muB in SrFe2As2. Surprisingly, the spin moment is found to decrease considerably in the optimally doped samples, 0.9 \muB in CeFeAsO0.89F0.11 and 1.3 \muB in Sr(Fe0.9Co0.1)2As2. The strong variation of the spin moment against doping and material type indicates that the spin moments and the motion of itinerant electrons are influenced reciprocally in a self-consistent fashion, reflecting the strong competition between the antiferromagnetic super-exchange interaction among the spin moments and the kinetic energy gain of the itinerant electrons in the presence of a strong Hund's coupling. By describing the evolution of the magnetic correlations concomitant with the appearance of superconductivity, these results constitute a fundamental step toward attaining a correct description of the microscopic mechanisms shaping the electronic properties in the pnictides, including magnetism and high temperature superconductivity.

cond-mat.supr-con↗

arXiv2010

Doping dependence of the $(π,π)$ shadow band in La-based cuprates studied by angle-resolved photoemission spectroscopy

The $(π,π)$ shadow band (SB) in La-based cuprate family (La214) was studied by angle-resolved photoemission spectroscopy (ARPES) over a wide doping range from $x=0.01$ to $x=0.25$. Unlike the well-studied case of the Bi-based cuprate family, an overall strong, monotonic doping dependence of the SB intensity at the Fermi level ($E_F$) was observed. In contrast to a previous report for the presence of the SB only close to $x=1/8$, we found it exists in a wide doping range, associated with a doping-independent $(π,π)$ wave vector but strongly doping-dependent intensity: It is the strongest at $x\sim 0.03$ and systematically diminishes as the doping increases until it becomes negligible in the overdoped regime. This SB with the observed doping dependence of intensity can in principle be caused by the antiferromagnetic fluctuations or a particular form of low-temperature orthorhombic lattice distortion known to persist up to $x\sim 0.21$ in the system, with both being weakened with increasing doping. However, a detailed binding energy dependent analysis of the SB at $x=0.07$ does not appear to support the former interpretation, leaving the latter as a more plausible candidate, despite a challenge in quantitatively linking the doping dependences of the SB intensity and the magnitude of the lattice distortion. Our finding highlights the necessity of a careful and global consideration of the inherent structural complications for correctly understanding the cuprate Fermiology and its microscopic implication.

cond-mat.supr-con↗

arXiv2010

Electronic Structure of CeFeAsO1-xFx (x=0, 0.11/x=0.12) compounds

We report an extensive study on the intrinsic bulk electronic structure of the high-temperature superconductor CeFeAsO0.89F0.11 and its parent compound CeFeAsO by soft and hard x-ray photoemission, x-ray absorption and soft-x-ray emission spectroscopies. The complementary surface/bulk probing depth, and the elemental and chemical sensitivity of these techniques allows resolving the intrinsic electronic structure of each element and correlating it with the local structure, which has been probed by extended-x-ray absorption fine structure spectroscopy. The measurements indicate a predominant 4f1 (i.e. Ce3+) initial state configuration for Cerium and an effective valence-band-to-4f charge-transfer screening of the core hole. The spectra also reveal the presence of a small Ce f0 initial state configuration, which we assign to the occurrence of an intermediate valence state. The data reveal a reasonably good agreement with the partial density of states as obtained in standard density functional calculations over a large energy range. Implications for the electronic structure of these materials are discussed.

cond-mat.supr-con↗

arXiv2010

Orbital Symmetry of Ba(Fe1-xCox)2As2 Superconductors Probed with X-ray Absorption Spectroscopy

The orbital symmetries of electron doped iron-arsenide superconductors Ba(Fe1-xCox)2As2 have been measured with x-ray absorption spectroscopy. The data reveal signatures of Fe d electron itinerancy, weak electronic correlations, and a high degree of Fe-As hybridization related to the bonding topology of the Fe dxz+yz states, which are found to contribute substantially at the Fermi level. The energies and detailed orbital character of Fe and As derived unoccupied s and d states are found to be in remarkably good agreement with the predictions of standard density functional theory.

cond-mat.supr-con↗

arXiv2010

Characteristic electronic structure and its doping evolution in lightly-doped to underdoped YBa2Cu3Oy

We have performed an angle resolved photoemission spectroscopy (ARPES) study of lightly-doped to underdoped YBa2Cu3Oy (YBCO) untwinned single crystals and a core-level x-ray photoemission spectroscopy (XPS) study of YBCO single and polycrystals. In the zone diagonal (nodal) direction, dispersive quasi-particle (QP) features crossing the Fermi level were observed down to the hole concentration of ~ 4%, which explains the metallic transport of the lightly-doped YBCO. The chemical potential shift estimated from XPS was more rapid than in the Bi2212 cuprates. Upon hole doping, very rapid spectral weight transfer from high binding energies to the QP feature, even faster than La2-xSrxCuO4, was observed.

cond-mat.supr-con↗

arXiv2009

Evidence for Three-Dimensionality in the Fermi Surface Topology of Layered Electron Doped Ba(Fe1-XCox)2As2 Iron Superconductors

The electronic structure of electron doped iron-arsenide superconductors Ba(Fe1- xCox)2As2 has been measured with Angle Resolved Photoemission Spectroscopy. The data reveal a marked photon energy dependence of points in momentum space where the bands cross the Fermi energy, a distinctive and direct signature of three-dimensionality in the Fermi surface topology. By providing a unique example of high temperature superconductivity hosted in layered compounds with three-dimensional electronic structure, these findings suggest that the iron-arsenides are unique materials, quite different from the cuprates high temperature superconductors.

cond-mat.supr-con↗

arXiv2008

Universal versus Material-Dependent Two-Gap Behaviors in the High-Tc Cuprates: Angle-Resolved Photoemission Study of La2-xSrxCuO4

We have investigated the doping and temperature dependences of the pseudogap/superconducting gap in the single-layer cuprate La$_{2-x}$Sr$_x$CuO$_4$ by angle-resolved photoemission spectroscopy. The results clearly exhibit two distinct energy and temperature scales, namely, the gap around ($π$,0) of magnitude $Δ^*$ and the gap around the node characterized by the d-wave order parameter $Δ_0$, like the double-layer cuprate Bi2212. In comparison with Bi2212 having higher $T_c$'s, $Δ_0$ is smaller, while $Δ^*$ and $T^*$ are similar. This result suggests that $Δ^*$ and $T^*$ are approximately material-independent properties of a single CuO$_2$ plane, in contrast the material-dependent $Δ_0$, representing the pairing strength.

cond-mat.str-el↗

arXiv2008

Evidence for Strong Itinerant Spin Fluctuations in the Normal State of CeFeAsO(0.89)F(0.11) Iron-Oxypnictides

The electronic structure in the normal state of CeFeAsO0.89F0.11 oxypnictide superconductors has been investigated with x-ray absorption and photoemission spectroscopy. All the data exhibit signatures of Fe d-electron itinerancy. Exchange multiplets appearing in the Fe 3s core level indicate the presence of itinerant spin fluctuations. These findings suggest that the underlying physics and the origin of superconductivity in these materials are likely to be quite different from those of the cuprate high-temperature superconductors. These materials provide opportunities for elucidating the role of magnetic fluctuations in high-temperature superconductivity.

cond-mat.supr-con↗

arXiv2007

Polaron Coherence Condensation as the Mechanism for Colossal Magnetoresistance in Layered Manganites

Angle-resolved photoemission spectroscopy data for the bilayer manganite La1.2Sr1.8Mn2O7 show that, upon lowering the temperature below the Curie point, a coherent polaronic metallic groundstate emerges very rapidly with well defined quasiparticles which track remarkably well the electrical conductivity, consistent with macroscopic transport properties. Our data suggest that the mechanism leading to the insulator-to-metal transition in La1.2Sr1.8Mn2O7 can be regarded as a polaron coherence condensation process acting in concert with the Double Exchange interaction.

cond-mat.str-el↗

arXiv2006

The hierarchy of multiple many-body interaction scales in high-temperature superconductors

To date, angle-resolved photoemission spectroscopy has been successful in identifying energy scales of the many-body interactions in correlated materials, focused on binding energies of up to a few hundred meV below the Fermi energy. Here, at higher energy scale, we present improved experimental data from four families of high-Tc superconductors over a wide doping range that reveal a hierarchy of many-body interaction scales focused on: the low energy anomaly ("kink") of 0.03-0.09eV, a high energy anomaly of 0.3-0.5eV, and an anomalous enhancement of the width of the LDA-based CuO2 band extending to energies of ~ 2 eV. Besides their universal behavior over the families, we find that all of these three dispersion anomalies also show clear doping dependence over the doping range presented.

cond-mat.supr-con↗

arXiv2006

Observation and resonant x-ray optical interpretation of multi-atom resonant photoemission effects in O 1s emission from NiO

We present experimental and theoretical results for the variation of the O 1s intensity from a NiO(001) surface as the excitation energy is varied through the Ni 2p1/2,3/2 absorption resonances, and as the incidence angle of the radiation is varied from grazing to larger values. For grazing incidence, a strong multi-atom resonant photoemission (MARPE) effect is seen on the O 1s intensity as the Ni 2p resonances are crossed, but its magnitude decreases rapidly as the incidence angle is increased. Resonant x-ray optical (RXRO) calculations are found to predict these effects very well, although the experimental effects are found to decrease at higher incidence angles faster than those in theory. The potential influence of photoelectron diffraction effects on such measurements are also considered, including experimental data with azimuthal-angle variation and corresponding multiple-scattering-diffraction calculations, but we conclude that they do not vary beyond what is expected on the basis of the change in photoelectron kinetic energy. Varying from linear polarization to circular polarization is found to enhance these effects in NiO considerably, although the reasons are not clear. We also discuss the relationship of these measurements to other related interatomic resonance experiments and theoretical developments, and make some suggestions for future studies in this area.

cond-mat.other↗

arXiv2005

Nodal quasiparticle in pseudogapped colossal magnetoresistive manganites

A characteristic feature of the copper oxide high-temperature superconductors is the dichotomy between the electronic excitations along the nodal (diagonal) and antinodal (parallel to the Cu-O bonds) directions in momentum space, generally assumed to be linked to the "d-wave" symmetry of the superconducting state. Angle-resolved photoemission measurements in the superconducting state have revealed a quasiparticle spectrum with a d-wave gap structure that exhibits a maximum along the antinodal direction and vanishes along the nodal direction. Subsequent measurements have shown that, at low doping levels, this gap structure persists even in the high-temperature metallic state, although the nodal points of the superconducting state spread out in finite "Fermi arcs". This is the so-called pseudogap phase, and it has been assumed that it is closely linked to the superconducting state, either by assigning it to fluctuating superconductivity or by invoking orders which are natural competitors of d-wave superconductors. Here we report experimental evidence that a very similar pseudogap state with a nodal-antinodal dichotomous character exists in a system that is markedly different from a superconductor: the ferromagnetic metallic groundstate of the colossal magnetoresistive bilayer manganite La1.2Sr1.8Mn2O7. Our findings therefore cast doubt on the assumption that the pseudogap state in the copper oxides and the nodal-antinodal dichotomy are hallmarks of the superconductivity state.

cond-mat.str-el↗

arXiv2005

Multiple Bosonic Mode Coupling in Electron Self-Energy of (La_2-xSr_x)CuO_4

High resolution angle-resolved photoemission spectroscopy data along the (0,0)-($π$,$π$) nodal direction with significantly improved statistics reveal fine structure in the electron self-energy of the underdoped (La$_{2-x}$Sr$_x$)CuO$_4$ samples in the normal state. Fine structure at energies of (40$\sim$46) meV and (58$\sim$63)meV, and possible fine structure at energies of (23$\sim$29)meV and (75$\sim$85)meV, have been identified. These observations indicate that, in LSCO, more than one bosonic modes are involved in the coupling with electrons.

cond-mat.str-el↗