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Static and dynamic changes induced by adsorption of atomic hydrogen on the NiAl(110) lattice at 130 K have been examined as a function of adsorbate coverage. Adsorbed hydrogen exists in three distinct phases. At low coverages the hydrogen…

Materials Science · Physics 2009-11-07 Aubrey T. Hanbicki , P. J. Rous , E. W. Plummer

A model for the adsorption of a binary mixture on a one-dimensional infinite lattice with nearest neighbour cooperative effects is considered. The particles of the two species are both monomers but differ in the repulsive interaction…

Statistical Mechanics · Physics 2010-04-20 A. Prados , J. J. Brey

We investigate the possibility of a Dicke-type superradiant phase transition of an atomic gas with an extended model which takes into account the short-range depolarizing interactions between atoms approaching each other as close as the…

Quantum Physics · Physics 2016-09-13 Tobias Grießer , András Vukics , Peter Domokos

Nanoscale surface analysis of 1 micrometer thick high entropy alloys (HEAs) was carried out using nano-IR for hyperspectral imaging and single point spectroscopy in the 700-1700 1/cm spectral range. Nano-IR is based on the detection of…

Adsorption of a molecule or group with an atom which is less electronegative than oxygen (O) and directly interacting with the surface is very relevant to development of PtM (M=3d-transition metal) catalysts with high activity. Here, we…

Materials Science · Physics 2016-03-23 Satadeep Bhattacharjee , S. J. Yoo , Umesh V. Waghmare , S. C. Lee

We simulate the liquid silicon surface with first-principles molecular dynamics in a slab geometry. We find that the atom-density profile presents a pronounced layering, similar to those observed in low-temperature liquid metals like Ga and…

Soft Condensed Matter · Physics 2009-10-31 G. Fabricius , E. Artacho , D. Sanchez-Portal , P. Ordejon , D. A. Drabold , J. M. Soler

The role of ionic interactions between sodium dodecyl sulfate, SDS, and sapphire surfaces have been studied using specular neutron reflection to determine the structure and composition of adsorbed surfactant layers. Increasing the pH of the…

Soft Condensed Matter · Physics 2012-05-02 Ningning Li , Robert K. Thomas , Adrian R. Rennie

Using first-principles density functional theory calculations in combination with the climbing-image nudged elastic band method, we investigated the adsorption, desorption, and diffusion of atomic chlorine and molecular chlorine on the Al…

Materials Science · Physics 2025-09-10 Sanjay Nayak , Nikolai Andrianov , Thomas Gruhn , Joaquin Miranda

We study 2-dimensional binary mixtures of parallel squares as well as of disks. A recent cluster algorithm allows us to establish an entropic demixing transition between a homogeneously packed fluid phase and a demixed phase of a…

Soft Condensed Matter · Physics 2009-10-31 Arnaud Buhot , Werner Krauth

Surface plasmons on metals can concentrate light into sub-nanometric volumes and on these near atomic length scales the electronic response at the metal interface is smeared out over a Thomas-Fermi screening length. This nonlocality is a…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Yu Luo , A. I. Fernandez-Dominguez , Aeneas Wiener , S. A. Maier , J. B. Pendry

Transition between the topologically trivial and non-trivial phase of Pb_{1-x}Sn_{x}Te alloy is driven by the increasing content $x$ of Sn, or by the hydrostatic pressure for $x<0.3$. We show that a sharp border between these two topologies…

Materials Science · Physics 2018-10-30 A. Lusakowski , P. Boguslawski , T. Story

Co-adsorption of Bi and Sb on Ag(111) at room temperature yields a single-layer Bi(1-x)Sb(x) alloy with a rectangular 3xsqrt(3) structure containing four atoms per unit cell (2/3 ML total coverage) and lacking long-range chemical order. We…

Materials Science · Physics 2026-05-20 Javier D. Fuhr , Polina M. Sheverdyaeva , Paolo Moras , J. Esteban Gayone , Hugo Ascolani

We present a combined experimental and theoretical analysis of the evolution of the near-band gap electronic and optical properties of Si$_{x}$Ge$_{1-x-y}$Sn$_{y}$ alloys lattice-matched to Ge and GaAs substrates. We perform…

Microalloying elements tend to segregate to the matrix-precipitate phase boundaries to reduce the interfacial energy. The segregation mechanism is emerging as a novel design strategy for developing precipitation-hardened alloys with…

Materials Science · Physics 2022-01-11 Sourabh Bhagwan Kadambi , Srikanth Patala

A series of density functional theory (DFT) simulations was performed to investigate the approach, contact, and subsequent separation of two atomically flat surfaces consisting of different materials. Aluminum (Al) and titanium nitride…

Materials Science · Physics 2015-04-24 Gregor Feldbauer , Michael Wolloch , Pedro O. Bedolla , Peter Mohn , Josef Redinger , András Vernes

Imaging ultracold atomic gases close to surfaces is an important tool for the detailed analysis of experiments carried out using atom chips. We describe the critical factors that need be considered, especially when the imaging beam is…

We present a theoretical study of the dispersion relation of surface plasmon resonances of mesoscopic metal-dielectric-metal microspheres. By analyzing the solutions to Maxwell's equations, we obtain a simple geometric condition for which…

Optics · Physics 2009-11-11 Keisuke Hasegawa , Charles A. Rohde , Miriam Deutsch

We have performed a density functional theory study of the possible layered geometries occurring after dehydrogenation of a self-assembled monolayer (SAM) of biphenyl-thiol molecules (BPTs) adsorbed on a Au(111), as it has been…

Mesoscale and Nanoscale Physics · Physics 2011-11-10 Pepa Cabrera-Sanfelix , Andrés Arnau , Daniel Sánchez-Portal

The adsorption of mixtures of poly(diallyldimethylammonium chloride) (PDADMAC) and sodium N-lauroyl-N-methyltaurate (SLMT) at the water / vapor interface has been studied using drop profile tensiometry and neutron reflectometry. This study…

We investigate the existence and the dispersion characteristics of surface waves that propagate at an interface between metal-dielectric superlattice and isotropic dielectric. Within the long wavelength limit, when the effective-medium…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Slobodan M. Vukovic , Juan J. Miret , Carlos J. Zapata-Rodriguez , Zoran Jaksic
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