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In this paper, we introduce a novel, adapted approach for computing gas adsorption properties in porous materials. We analyze the Dubinin-Polanyi's adsorption model and investigate various frameworks to estimate its required essential…

Materials Science · Physics 2023-10-25 F. Stavarache , A. Luna-Triguero , S. Calero , J. M. Vicent-Luna

Spectroscopy of hydrogen can be used for a search into physics beyond the Standard Model. Differences between the absorption spectra of H$_2$ as observed at high redshift and those measured in the laboratory can be interpreted in terms of…

Atomic Physics · Physics 2017-08-23 Wim Ubachs , Jeroen C. J. Koelemeij , Kjeld S. E. Eikema , Edcel J. Salumbides

We study density profiles of an ideal Fermi gas and observe Pauli suppression of density fluctuations (atom shot noise) for cold clouds deep in the quantum degenerate regime. Strong suppression is observed for probe volumes containing more…

The tilted-wave interferometer is a promising technique for the development of a reference measurement system for the highly accurate form measurement of aspheres and freeform surfaces. The technique combines interferometric measurements,…

Due to the growing number of publications and applications based on the exploitation of Bloch surface waves and the gross errors and approximations that are regularly used to evaluate the properties of this type of wave, we judge seriously…

Optics · Physics 2020-10-02 Fadi Issam Baida , Maria-Pilar Bernal

The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…

Condensed Matter · Physics 2009-11-10 A. Kokalj , N. Bonini , A. Dal Corso , S. de Gironcoli , S. Baroni

One of the greatest challenges when designing new technologies that make use of non-trivial quantum materials is the difficulty associated with predicting material-specific properties, such as critical temperature, gap parameter, etc. There…

Superconductivity · Physics 2025-03-24 Adrian D. Scheppe , Michael V. Pak

We present a new and efficient optimization method to determine the structure of disordered systems in agreement with available experimental data. Our approach permits the application of accurate electronic structure calculations within the…

Materials Science · Physics 2014-06-23 Jan H. Los , Thomas D. Kühne

This work is about Bohmian mechanics, a non-relativistic quantum theory about the motion of particles and their trajectories, named after its inventor David Bohm (Bohm,1952). This mechanics resolves all paradoxes associated with the…

Quantum Physics · Physics 2017-10-03 David Navia

We report on the detection of diffraction gratings buried below a stack of tens of 18 nm thick $\mathrm{SiO_2}$ and $\mathrm{Si_3N_4}$ layers and an optically opaque metal layer, using laser-induced, extremely-high frequency ultrasound. In…

We consider two-dimensional (2D) "artificial atoms" confined by an axially symmetric potential $V(\rho)$. Such configurations arise in circular quantum dots and other systems effectively restricted to a 2D layer. Using the semiclassical…

Mesoscale and Nanoscale Physics · Physics 2014-07-28 Yu. N. Ovchinnikov , Avik Halder , Vitaly V. Kresin

Quantum phase is not a direct observable and is usually determined by interferometric methods. We present a method to map complete electron wave functions, including internal quantum phase information, from measured single-state probability…

Mesoscale and Nanoscale Physics · Physics 2008-03-19 Christopher R. Moon , Laila S. Mattos , Brian K. Foster , Gabriel Zeltzer , Wonhee Ko , Hari C. Manoharan

Electron and energy transfer processes between an atom or molecule and a surface are extremely important for many applications in physics and chemistry. Therefore a profound understanding of these processes is essential in order to analyze…

Materials Science · Physics 2014-02-11 R. Carmina Monreal

The use of spectral projection based methods for simulation of a stochastic system with discontinuous solution exhibits the Gibbs phenomenon, which is characterized by oscillations near discontinuities. This paper investigates a dynamic…

Methodology · Statistics 2012-10-24 Piyush M. Tagade , Han-Lim Choi

The variation of the work function upon carbon adsorption on the reconstructed Au(110) surface is measured experimentally and compared to density functional calculations. The adsorption dynamics is simulated with ab-initio molecular…

Atomic Physics · Physics 2018-08-08 H. Z. Jooya , K. S. McKay , E. Kim , P. F. Weck , D. P. Pappas , D. A. Hite , H. R. Sadeghpour

We present a way to manipulate an electron trapped in a layered quantum dot based on near-threshold properties of one-body potentials. We show that potentials with a simple global parameter allows the manipulation of the wave function…

Mesoscale and Nanoscale Physics · Physics 2012-05-10 Alejandro Ferrón , Pablo Serra , Omar Osenda

The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…

mtrl-th · Physics 2008-02-03 Catherine Stampfl

A simple method is proposed for inclusion of inelastic effects (electron absorption) in computations of low-energy electron reflectivity (LEER) spectra. The theoretical spectra are formulated by matching of electron wavefunctions obtained…

Mesoscale and Nanoscale Physics · Physics 2023-05-03 Qin Gao , P. C. Mende , M. Widom , R. M. Feenstra

To set up a self-consistent quantum field theory of degenerate systems, the unperturbed state should be described by a density matrix instead of a pure state. This increases the combinatorial complexity of the many-body equations. Hopf…

High Energy Physics - Theory · Physics 2007-05-23 Christian Brouder

Realisation of experiments even on small and medium-scale quantum computers requires an optimisation of several parameters to achieve high-fidelity operations. As the size of the quantum register increases, the characterisation of quantum…

Quantum Physics · Physics 2020-08-11 F. Martínez-García , D. Vodola , M. Müller
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