Search results for "Condensed Matter - Other Condensed Matter"
showing 10 items of 195 documents
Simplified feedback control system for scanning tunneling microscopy
2021
A Scanning Tunneling Microscope (STM) is one of the most important scanning probe tools available to study and manipulate matter at the nanoscale. In a STM, a tip is scanned on top of a surface with a separation of a few \AA. Often, the tunneling current between tip and sample is maintained constant by modifying the distance between the tip apex and the surface through a feedback mechanism acting on a piezoelectric transducer. This produces very detailed images of the electronic properties of the surface. The feedback mechanism is nearly always made using a digital processing circuit separate from the user computer. Here we discuss another approach, using a computer and data acquisition thr…
Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water
2013
Interpretation of the X-ray spectra of water as evidence for its asymmetric structure has challenged the conventional symmetric nearly-tetrahedral model and initiated an intense debate about the order and symmetry of the hydrogen bond network in water. Here, we present new insights into the nature of local interactions in water obtained using a novel energy decomposition method. Our simulations reveal that while a water molecule forms, on average, two strong donor and two strong acceptor bonds, there is a significant asymmetry in the energy of these contacts. We demonstrate that this asymmetry is a result of small instantaneous distortions of hydrogen bonds, which appear as fluctuations on …
Angular Pseudomomentum Theory for the Generalized Nonlinear Schr\"{o}dinger Equation in Discrete Rotational Symmetry Media
2009
We develop a complete mathematical theory for the symmetrical solutions of the generalized nonlinear Schr\"odinger equation based on the new concept of angular pseudomomentum. We consider the symmetric solitons of a generalized nonlinear Schr\"odinger equation with a nonlinearity depending on the modulus of the field. We provide a rigorous proof of a set of mathematical results justifying that these solitons can be classified according to the irreducible representations of a discrete group. Then we extend this theory to non-stationary solutions and study the relationship between angular momentum and pseudomomentum. We illustrate these theoretical results with numerical examples. Finally, we…
Exact non-Markovian dynamics of Gaussian quantum channels: Finite-time and asymptotic regimes
2018
We investigate the Markovian and non-Markovian dynamics of Gaussian quantum channels, exploiting a recently introduced necessary and sufficient criterion and the ensuing measure of non-Markovianity based on the violation of the divisibility property of the dynamical map. We compare the paradigmatic instances of Quantum Brownian motion (QBM) and Pure Damping (PD) channels, and for the former we find that the exact dynamical evolution is always non-Markovian in the finite-time as well as in the asymptotic regimes, for any nonvanishing value of the non-Markovianity parameter. If one resorts to the rotating wave approximated (RWA) form of the QBM, that neglects the anomalous diffusion contribut…
Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation
2020
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here resolves the problems arising from the translational and rotational invariance of this Hamiltonian that afflict the existing many-body Green's function theories. We derive a coupled set of exact equations for the electronic and nuclear Green's functions and provide a systematic way to approximately compute the properties of arbitrary many-body systems of electrons and nuclei beyond the Born-Oppenheimer approximation. The case of crystalline solids is discussed …
Growth of immobilized DNA by polymerase: bridging nanoelectrodes with individual dsDNA molecules.
2011
We present a method for controlled connection of gold electrodes with dsDNA molecules (locally on a chip) by utilizing polymerase to elongate single-stranded DNA primers attached to the electrodes. Thiol-modified oligonucleotides are directed and immobilized to nanoscale electrodes by means of dielectrophoretic trapping, and extended in a procedure mimicking PCR, finally forming a complete dsDNA molecule bridging the gap between the electrodes. The technique opens up opportunities for building from the bottom-up, for detection and sensing applications, and also for molecular electronics.
Thermal entanglement of a spin-1/2 Ising–Heisenberg model on a symmetrical diamond chain
2011
International audience; The entanglement quantum properties of a spin-1/2 Ising-Heisenberg model on a symmetrical diamond chain were analyzed. Due to the separable nature of the Ising-type exchange interactions between neighboring Heisenberg dimers, calculation of the entanglement can be performed exactly for each individual dimer. Pairwise thermal entanglement was studied in terms of the isotropic Ising-Heisenberg model and analytical expressions for the concurrence (as a measure of bipartite entanglement) were obtained. The effects of external magnetic field H and next-nearest neighbor interaction J(m) between nodal Ising sites were considered. The ground state structure and entanglement …
Noise correlations of the ultracold Fermi gas in an optical lattice
2008
In this paper we study the density noise correlations of the two component Fermi gas in optical lattices. Three different type of phases, the BCS-state (Bardeen, Cooper, and Schieffer), the FFLO-state (Fulde, Ferrel, Larkin, and Ovchinnikov), and BP (breach pair) state, are considered. We show how these states differ in their noise correlations. The noise correlations are calculated not only at zero temperature, but also at non-zero temperatures paying particular attention to how much the finite temperature effects might complicate the detection of different phases. Since one-dimensional systems have been shown to be very promising candidates to observe FFLO states, we apply our results als…
Fermion sign problem in imaginary-time projection continuum quantum Monte Carlo with local interaction
2016
We use the Shadow Wave Function formalism as a convenient model to study the fermion sign problem affecting all projector Quantum Monte Carlo methods in continuum space. We demonstrate that the efficiency of imaginary time projection algorithms decays exponentially with increasing number of particles and/or imaginary-time propagation. Moreover, we derive an analytical expression that connects the localization of the system with the magnitude of the sign problem, illustrating this prediction through some numerical results. Finally, we discuss the fermion sign problem computational complexity and methods for alleviating its severity.
Density-functional tight-binding for beginners
2009
This article is a pedagogical introduction to density-functional tight-binding (DFTB) method. We derive it from the density-functional theory, give the details behind the tight-binding formalism, and give practical recipes for parametrization: how to calculate pseudo-atomic orbitals and matrix elements, and especially how to systematically fit the short-range repulsions. Our scope is neither to provide a historical review nor to make performance comparisons, but to give beginner's guide for this approximate, but in many ways invaluable, electronic structure simulation method--now freely available as an open-source software package, hotbit.