Infinite boundary conditions for matrix product state calculations

We propose a formalism to study dynamical properties of a quantum many-body system in the thermodynamic limit by studying a finite system with infinite boundary conditions (IBC) where both finite size effects and boundary effects have been eliminated. For one-dimensional systems, infinite boundary conditions are obtained by attaching two boundary sites to a finite system, where each of these two sites effectively represents a semi-infinite extension of the system. One can then use standard finite-size matrix product state techniques to study a region of the system while avoiding many of the complications normally associated with finite-size calculations such as boundary Friedel oscillations. We illustrate the technique with an example of time evolution of a local perturbation applied to an infinite (translationally invariant) ground state, and use this to calculate the spectral function of the S=1 Heisenberg spin chain. This approach is more efficient and more accurate than conventional simulations based on finite-size matrix product state and density-matrix renormalization-group approaches.Comment: 10 page

Dynamical windows for real-time evolution with matrix product states

We propose the use of a dynamical window to investigate the real-time evolution of quantum many-body systems in a one-dimensional lattice. In a recent paper [H. Phien et al, arxiv:????.????], we introduced infinite boundary conditions (IBC) in order to investigate real-time evolution of an infinite system under a local perturbation. This was accomplished by restricting the update of the tensors in the matrix product state to a finite window, with left and right boundaries held at fixed positions. Here we consider instead the use of a dynamical window, namely a window where the positions of left and right boundaries are allowed to change in time. In this way, all simulation efforts can be devoted to the space-time region of interest, which leads to a remarkable reduction in computational costs. For illustrative purposes, we consider two applications in the context of the spin-1 antiferromagnetic Heisenberg model in an infinite spin chain: one is an expanding window, with boundaries that are adjusted to capture the expansion in time of a local perturbation of the system; the other is a moving window of fixed size, where the position of the window follows the front of a propagating wave

Harvesting Excitons Through Plasmonic Strong Coupling

Exciton harvesting is demonstrated in an ensemble of quantum emitters coupled to localized surface plasmons. When the interaction between emitters and the dipole mode of a metallic nanosphere reaches the strong coupling regime, the exciton conductance is greatly increased. The spatial map of the conductance matches the plasmon field intensity profile, which indicates that transport properties can be tuned by adequately tailoring the field of the plasmonic resonance. Under strong coupling, we find that pure dephasing can have detrimental or beneficial effects on the conductance, depending on the effective number of participating emitters. Finally, we show that the exciton transport in the strong coupling regime occurs on an ultrafast timescale given by the inverse Rabi splitting ($\sim10~$fs), orders of magnitude faster than transport through direct hopping between the emitters.Comment: 5 pages, 3 figure

Quantum mechanical analysis of the elastic propagation of electrons in the Au/Si system: application to Ballistic Electron Emission Microscopy

We present a Green's function approach based on a LCAO scheme to compute the elastic propagation of electrons injected from a STM tip into a metallic film. The obtained 2D current distribution in real and reciprocal space furnish a good representation of the elastic component of Ballistic Electron Emission Microscopy (BEEM) currents. Since this component accurately approximates the total current in the near threshold region, this procedure allows --in contrast to prior analyses-- to take into account effects of the metal band structure in the modeling of these experiments. The Au band structure, and in particular its gaps appearing in the [111] and [100] directions provides a good explanation for the previously irreconcilable results of nanometric resolution and similarity of BEEM spectra on both Au/Si(111) and Au/Si(100).Comment: 12 pages, 9 postscript figures, revte

Hot electron transport in Ballistic Electron Emission Spectroscopy: band structure effects and k-space currents

Using a Green's function approach, we investigate band structure effects in the BEEM current distribution in reciprocal space. In the elastic limit, this formalism provides a 'parameter free' solution to the BEEM problem. At low temperatures, and for thin metallic layers, the elastic approximation is enough to explain the experimental I(V) curves at low voltages. At higher voltages inelastic effects are approximately taken into account by introducing an effective RPA-electron lifetime, much in similarity with LEED theory. For thick films, however, additional damping mechanisms are required to obtain agreement with experiment.Comment: 4 pages, 3 postscript figures, revte

Biaxial Strain in the Hexagonal Plane of MnAs Thin Films: The Key to Stabilize Ferromagnetism to Higher Temperature

The alpha-beta magneto-structural phase transition in MnAs/GaAs(111) epilayers is investigated by elastic neutron scattering. The in-plane parameter of MnAs remains almost constant with temperature from 100 K to 420 K, following the thermal evolution of the GaAs substrate. This induces a temperature dependent biaxial strain that is responsible for an alpha-beta phase coexistence and, more important, for the stabilization of the ferromagnetic alpha-phase at higher temperature than in bulk. We explain the premature appearance of the beta-phase at 275 K and the persistence of the ferromagnetic alpha-phase up to 350 K with thermodynamical arguments based on the MnAs phase diagram. It results that the biaxial strain in the hexagonal plane is the key parameter to extend the ferromagnetic phase well over room temperature.Comment: 4 pages, 3 figures, accepted for publication in Physical Review Letter

Surface and bulk band-structure effects on CoSi₂/Si(111) ballistic-electron emission experiments

A theoretical model of ballistic-electron-emission microscopy (BEEM) based on linear combination of atomic orbitals Hamiltonians and Keldysh Green’s functions is applied to analyze experimental data obtained for CoSi2/Si(111) contacts. Hot electrons injected from a scanning tunneling microscope tip into the silicide film form a highly focused beam, which even after propagation through films of moderate thickness is narrow enough to allow the observed atomic resolution of interfacial point defects. On (2×1) reconstructed domains a certain fraction of the initial current is injected into localized surface states, leading to the reported contrast in BEEM images, reflecting the topography at the surface. These results confirm that band-structure effects, both in the bulk and at the surface of the metallic overlayer, intricately influence the interface-related information contained in BEEM data. It is found that for a careful analysis of experimental results, a theoretical model going beyond the ballistic hypotesis is required

Applicability of Ammonia Sensors for Controlling Environmental Parameters in Accommodations for Lamb Fattening

Electrochemical ammonia sensors were used to analyse the existing relationship between the ammonia concentration and ambient levels of both temperature and relative humidity in commercial lamb fattening housing equipped with mechanical ventilation and straw-bedded pens. In the first stage of the experiment, sensors were placed over straw beds covered in lamb urine and analysed under laboratory conditions in order to determine ammonia emission evolution over time; three control temperatures (25, 35, and 50 degrees C) were used. A HOBO H8 temperature and relative humidity logger and a Drager NH3LC-6809680 electrochemical ammonia sensor placed in a Drager Polytron 7000 gas detector were utilized as sensors. A positive correlation was established between both ammonia emission time and emitted amount with temperature. Additionally, tests were performed in a commercial lamb housing to determine ammonia concentration variation with respect to height from the ground; three ammonia sensors placed at 50, 90, and 135 cm above the ground were used simultaneously. The ammonia concentration significantly decreased as height increased. A 90 cm height was selected, and three ammonia probes were placed in three different pens inside the livestock housing, along with temperature and relative humidity sensors; four different housing ventilation rates were then tested under real conditions over a time period of 4 months. An adjustment polynomial equation between the housing ambient temperature and the ammonia concentration was obtained with R-2 = 0.632. In conclusion, a relationship can be established between temperature and ammonia concentration in commercial lamb housing under certain handling conditions, which in turn allows for estimating the ammonia concentration adequately based on the ambient internal temperature

Biaxial Strain in the Hexagonal Plane of MnAs Thin Films: The Key to Stabilize Ferromagnetism to Higher Temperature

The alpha-beta magneto-structural phase transition in MnAs/GaAs(111) epilayers is investigated by elastic neutron scattering. The in-plane parameter of MnAs remains almost constant with temperature from 100 K to 420 K, following the thermal evolution of the GaAs substrate. This induces a temperature dependent biaxial strain that is responsible for an alpha-beta phase coexistence and, more important, for the stabilization of the ferromagnetic alpha-phase at higher temperature than in bulk. We explain the premature appearance of the beta-phase at 275 K and the persistence of the ferromagnetic alpha-phase up to 350 K with thermodynamical arguments based on the MnAs phase diagram. It results that the biaxial strain in the hexagonal plane is the key parameter to extend the ferromagnetic phase well over room temperature.Comment: 4 pages, 3 figures, accepted for publication in Physical Review Letter

Matrix product decomposition and classical simulation of quantum dynamics in the presence of a symmetry

We propose a refined matrix product state representation for many-body quantum states that are invariant under SU(2) transformations, and indicate how to extend the time-evolving block decimation (TEBD) algorithm in order to simulate time evolution in an SU(2) invariant system. The resulting algorithm is tested in a critical quantum spin chain and shown to be significantly more efficient than the standard TEBD.Comment: 5 pages, 4 figure