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P. Werner

Publications and source records attributed to P. Werner.

At least 19 recordsLinked to original sources

Displaced Drude peak from $\pi$-ton vertex corrections

Correlated electron systems often show strong bosonic fluctuations, e.g., of antiferromagnetic nature, around a large wave vector such as $\mathbf{q}=(\pi,\pi\ldots)$. These fluctuations can give rise to vertex corrections to the optical conductivity through the (transversal) particle-hole channel, coined $\pi$-ton contributions. Previous numerical results differed qualitatively on how such vertex corrections alter the optical conductivity. Here, we clarify that $\pi$-ton vertex corrections lead to a displaced Drude peak for correlated metals. The proximity and enhancement of the effect when approaching a phase transition of, e.g., antiferromagnetic nature can be utilized for discriminating $\pi$-tons in experiments from other physics leading to a displaced Drude peak.

cond-mat.str-el

Work Distribution for Unzipping Processes

A simple zipper model is introduced, representing in a simplified way, e.g., the folded DNA double helix or hairpin structures in RNA. The double stranded hairpin is connected to a heat bath at temperature $T$ and subject to an external force $f$, which couples to the free length $L$ of the unzipped sequence. Increasing the force, leads to an zipping/unzipping first-order phase transition at a critical force $f_c(T)$ in the thermodynamic limit of a very large chain. We compute analytically, as a function of temperature $T$ and force $f$, the full distribution $P(L)$ of free lengths in the thermodynamic limit and show that it is qualitatively very different for $f f_c$. Next we consider quasistatic work processes where the force is incremented according to a linear protocol. Having obtained $P(L)$ already allows us to derive an analytical expression for the work distribution $P(W)$ in the zipped phase $f<f_c$ for a long chain. We compute the large-deviation tails of the work distribution explicitly. Our analytical result for the work distribution is compared over a large range of the support down to probabilities as small as $10^{-200}$ with numerical simulations, which were performed by applying sophisticated large-deviation algorithms.

cond-mat.stat-mech

The ATLAS Readout System for LHC Runs 2 and 3

The ReadOut System (ROS) is a central part of the data acquisition (DAQ) system of the ATLAS Experiment at the CERN Large Hadron Collider (LHC). The system is responsible for receiving and buffering event data from all detector subsystems and serving these to the High Level Trigger (HLT) system via a 10 GbE network, discarding or transporting data onward once the trigger has completed its selection process. The ATLAS ROS was completely replaced during the 2013-2014 experimental shutdown in order to meet the demanding conditions expected during LHC Run 2 and Run 3 (2015-2025). The ROS consists of roughly one hundred Linux-based 2U-high rack-mounted servers equipped with PCIe I/O cards and 10 GbE interfaces. This paper documents the system requirements for LHC Runs 2 and 3 and the design choices taken to meet them. The results of performance measurements and the re-use of ROS technology for the development of data sources, test platforms for other systems, and another ATLAS DAQ system component, namely the Region of Interest Builder (RoIB), are also discussed. Finally performance results for Run 2 operations are presented before looking at the upgrade for Run 3.

hep-ex

Ultrafast Dynamics of the Surface Photovoltage in Potassium Doped Black Phosphorus

Black phosphorus is a quasi-two-dimensional layered semiconductor with a narrow direct band gap of 0.3 eV. A giant surface Stark effect can be produced by the potassium doping of black phosphorus, leading to a semiconductor to semimetal phase transition originating from the creation of a strong surface dipole and associated band bending. By using time- and angle-resolved photoemission spectroscopy, we report the partial photoinduced screening of this band bending by the creation of a compensating surface photovoltage. We further resolve the detailed dynamics of this effect at the pertinent timescales and the related evolution of the band structure near the Fermi level. We demonstrate that after a fast rise time, the surface photovoltage exhibits a plateau over a few tens of picoseconds before decaying on the nanosecond timescale. We support our experimental results with simulations based on drift-diffusion equations.

cond-mat.mtrl-sci

Density Functional Theory of the Hubbard-Holstein Model

We present a density functional theory (DFT) for lattice models with local electron-electron (e-e) and electron-phonon (e-ph) interactions. Exchange-correlation potentials are derived via dynamical mean field theory for the infinite-dimensional Bethe lattice, and analytically for an isolated Hubbard-Holstein site. These potentials exhibit discontinuities as a function of the density, which depend on the relative strength of the e-e and e-ph interactions. By comparing to exact benchmarks, we show that the DFT formalism gives a good description of the linear conductance and real-time dynamics.

cond-mat.str-el

Adaptive modulation in Ni2Mn1.4In0.6 magnetic shape memory Heusler alloy

The origin of incommensurate structural modulation in Ni-Mn based Heusler type magnetic shape memory alloys (MSMAs) is still an unresolved issue inspite of intense focus on this due to its role in the magnetic field induced ultra-high strains. In the archetypal MSMA Ni2MnGa, the observation of non-uniform displacement of atoms from their mean positions in the modulated martensite phase, premartensite phase and charge density wave as well as the presence of phason broadening of satellite peaks have been taken in support of the electronic instability model linked with a soft acoustic phonon. We present here results of a combined high resolution synchrotron x-ray powder diffraction (SXRPD) and neutron powder diffraction (NPD) study on Ni2Mn1.4In0.6 using (3+1)D superspace group approach, which reveal not only uniform atomic displacements in the modulated structure of the martensite phase with physically acceptable ordered magnetic moments in the antiferromagnetic phase at low temperatures but also the absence of any premartensite phase and phason broadening of the satellite peaks. Our HRTEM studies and first principles calculations of the ground state also support uniform atomic displacements predicted by powder diffraction studies. All these observations suggest that the structural modulation in the martensite phase of Ni2Mn1.4In0.6 MSMA can be explained in terms of the adaptive phase model. The present study underlines the importance of superspace group analysis using complimentary SXRPD and NPD in understanding the physics of the origin of modulation as well as the magnetic and the modulated ground states of the Heusler type MSMAs. Our work also highlights the fact that the mechanism responsible for the origin of modulated structure in different Ni-Mn based MSMAs may not be universal and it must be investigated thoroughly in different alloy compositions.

cond-mat.mtrl-sci

Electric-field control of oxygen vacancy and magnetic phase transition in cobaltite/manganite bilayer

Manipulation of oxygen vacancies (V_O) in single oxide layers by varying the electric field can result in significant modulation of the ground state. However, in many oxide multilayers with strong application potentials, e.g. ferroelectric tunnel junctions and solid-oxide fuel cells, understanding V_O behaviour in various layers under an applied electric field remains a challenge, owing to complex V_O transport between different layers. By sweeping the external voltage, a reversible manipulation of V_O and a corresponding fixed magnetic phase transition sequence in cobaltite/manganite (SrCoO3-x/La0.45Sr0.55MnO3-y) heterostructures are reported. The magnetic phase transition sequence confirms that the priority of electric-field-induced V_O formation/annihilation in the complex bilayer system is mainly determined by the V_O formation energies and Gibbs free energy differences, which is supported by theoretical analysis. We not only realize a reversible manipulation of the magnetic phase transition in an oxide bilayer, but also provide insight into the electric field control of V_O engineering in heterostructures.

physics.app-ph

Damping of the Collective Amplitude Mode in Superconductors with Strong Electron-Phonon Coupling

We study the effect of strong electron-phonon interactions on the damping of the Higgs amplitude mode in superconductors by means of non-equilibrium dynamical mean-field simulations of the Holstein model. In contrast to the BCS dynamics, we find that the damping of the Higgs mode strongly depends on the temperature, becoming faster as the systen approaches the transition temperature. The damping at low temperatures is well described by a power-law, while near the transition temperature the damping shows exponential-like behavior. We explain this crossover by a temperature-dependent quasiparticle lifetime caused by the strong electron- phonon coupling, which smears the superconducting gap edge and makes the relaxation of the Higgs mode into quasiparticles more efficient at elevated temperatures. We also reveal that the phonon dynamics can soften the Higgs mode, which results in a slower damping.

cond-mat.supr-con

Structural and electronic properties of epitaxial multilayer h-BN on Ni(111) for spintronics applications

Hexagonal boron nitride (h-BN) is a promising material for implementation in spintronics due to a large band gap, low spin-orbit coupling, and a small lattice mismatch to graphene and to close-packed surfaces of fcc-Ni(111) and hcp-Co(0001). Epitaxial deposition of h-BN on ferromagnetic metals is aimed at small interface scattering of charge and spin carriers. We report on the controlled growth of h-BN/Ni(111) by means of molecular beam epitaxy (MBE). Structural and electronic properties of this system are investigated using cross-section transmission electron microscopy (TEM) and electron spectroscopies which confirm good agreement with the properties of bulk h-BN. The latter are also corroborated by density functional theory (DFT) calculations, revealing that the first h-BN layer at the interface to Ni is metallic. Our investigations demonstrate that MBE is a promising, versatile alternative to both the exfoliation approach and chemical vapour deposition of h-BN.

cond-mat.mtrl-sci

Double Occupancy and Magnetic Susceptibility of the Anderson Impurity Model out of Equilibrium

We use different numerical approaches to calculate the double occupancy and mag- netic susceptibility as a function of a bias voltage in an Anderson impurity model. Specifically, we compare results from the Matsubara-voltage quantum Monte-Carlo approach (MV-QMC), the scattering-states numerical renormalization group (SNRG), and real-time quantum Monte-Carlo (RT-QMC), covering Coulomb repulsions ranging from the weak-coupling well into the strong- coupling regime. We observe a distinctly different behavior of the double occupancy and the magnetic response. The former measures charge fluctuations and thus only indirectly exhibits the Kondo scale, while the latter exhibits structures on the scale of the equilibrium Kondo tempera- ture. The Matsubara-voltage approach and the scattering-states numerical renormalization group yield consistent values for the magnetic susceptibility in the Kondo limit. On the other hand, all three numerical methods produce different results for the behavior of charge fluctuations in strongly interacting dots out of equilibrium.

cond-mat.str-el

Large temperature dependence of the number of carriers in Co-doped BaFe2As2

Using angle-resolved photoemission spectroscopy, we study the evolution of the number of carriers in Ba(Fe(1-x)Cox)2As2 as a function of Co content and temperature. We show that there is a k-dependent energy shift compared to density functional calculations, which is large at low Co contents and low temperatures and reduces the volume of hole and electron pockets by a factor 2. This k-shift becomes negligible at high Co content and could be due to interband charge or spin fluctuations. We further reveal that the bands shift with temperature, changing significantly the number of carriers they contain (up to 50%). We explain this evolution by thermal excitations of carriers among the narrow bands, possibly combined with a temperature evolution of the k-dependent fluctuations.

cond-mat.str-el

Magnetic susceptibility of Ce: an LDA+DMFT study

The magnetic properties of Ce in the $α$ and $γ$ phase are calculated within the LDA+DMFT approach. The magnetic susceptibility in these two phases shows a similar behavior over a wide temperature range: a Curie-Weiss law at high temperatures, indicating the presence of local moments, followed by a maximum in a crossover regime, and a saturation characteristic of a state with screened local moments at low temperature. The difference in experimentally observable magnetic properties is caused by the shift of the susceptibility to higher temperatures in the $α-$phase compared to the $γ-$phase, due to the larger hybridization between localized $4f-$states and conductive $spd-$electrons.

cond-mat.str-el

The ALPS project release 2.0: Open source software for strongly correlated systems

We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. The code development is centered on common XML and HDF5 data formats, libraries to simplify and speed up code development, common evaluation and plotting tools, and simulation programs. The programs enable non-experts to start carrying out serial or parallel numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), the density matrix renormalization group (DMRG) both in a static version and a dynamic time-evolving block decimation (TEBD) code, and quantum Monte Carlo solvers for dynamical mean field theory (DMFT). The ALPS libraries provide a powerful framework for programers to develop their own applications, which, for instance, greatly simplify the steps of porting a serial code onto a parallel, distributed memory machine. Major changes in release 2.0 include the use of HDF5 for binary data, evaluation tools in Python, support for the Windows operating system, the use of CMake as build system and binary installation packages for Mac OS X and Windows, and integration with the VisTrails workflow provenance tool. The software is available from our web server at http://alps.comp-phys.org/.

cond-mat.str-el

Polarized superfluid state in a three-dimensional fermionic optical lattice

We study ultracold fermionic atoms trapped in a three dimensional optical lattice by combining the real-space dynamical mean-field approach with continuous-time quantum Monte Carlo simulations. For a spin-unpolarized system we show results the density and pair potential profile in the trap for a range of temperatures. We discuss how a polarized superfluid state is spatially realized in the spin-polarized system with harmonic confinement at low temperatures and present the local particle density, local magnetization, and pair potential.

cond-mat.quant-gas

New theoretical approaches for correlated systems in nonequilibrium

We review recent developments in the theory of interacting quantum many-particle systems that are not in equilibrium. We focus mainly on the nonequilibrium generalizations of the flow equation approach and of dynamical mean-field theory (DMFT). In the nonequilibrium flow equation approach one first diagonalizes the Hamiltonian iteratively, performs the time evolution in this diagonal basis, and then transforms back to the original basis, thereby avoiding a direct perturbation expansion with errors that grow linearly in time. In nonequilibrium DMFT, on the other hand, the Hubbard model can be mapped onto a time-dependent self-consistent single-site problem. We discuss results from the flow equation approach for nonlinear transport in the Kondo model, and further applications of this method to the relaxation behavior in the ferromagnetic Kondo model and the Hubbard model after an interaction quench. For the interaction quench in the Hubbard model, we have also obtained numerical DMFT results using quantum Monte Carlo simulations. In agreement with the flow equation approach they show that for weak coupling the system relaxes to a "prethermalized" intermediate state instead of rapid thermalization. We discuss the description of nonthermal steady states with generalized Gibbs ensembles.

cond-mat.str-el

Transient dynamics of the Anderson impurity model out of equilibrium

We discuss the transient effects in the Anderson impurity model that occur when two fermionic continua with finite bandwidths are instantaneously coupled to a central level. We present results for the analytically solvable noninteracting resonant level system first and then consistently extend them to the interacting case using the conventional perturbation theory and recently developed nonequilibrium Monte Carlo simulation schemes. The main goal is to gain an understanding of the full time-dependent nonlinear current-voltage characteristics and the population probability of the central level. We find that, contrary to the steady state, the transient dynamics of the system depends sensitively on the bandwidth of the electrode material.

cond-mat.mes-hall

Pressure-Driven Metal-Insulator Transition in Hematite from Dynamical Mean-Field Theory

The Local Density Approximation combined with Dynamical Mean-Field Theory (LDA+DMFT method) is applied to the study of the paramagnetic and magnetically ordered phases of hematite Fe$_2$O$_3$ as a function of volume. As the volume is decreased, a simultaneous 1st order insulator-metal and high-spin to low-spin transition occurs close to the experimental value of the critical volume. The high-spin insulating phase is destroyed by a progressive reduction of the charge gap with increasing pressure, upon closing of which the high spin phase becomes unstable. We conclude that the transition in Fe$_2$O$_3$ at $\approx$50 GPa can be described as an electronically driven volume collapse.

cond-mat.str-el

The ALPS project release 1.3: open source software for strongly correlated systems

We present release 1.3 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. Development is centered on common XML and binary data formats, on libraries to simplify and speed up code development, and on full-featured simulation programs. The programs enable non-experts to start carrying out numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), as well as the density matrix renormalization group (DMRG). Changes in the new release include a DMRG program for interacting models, support for translation symmetries in the diagonalization programs, the ability to define custom measurement operators, and support for inhomogeneous systems, such as lattice models with traps. The software is available from our web server at http://alps.comp-phys.org/ .

cond-mat.str-el