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Using the atomic density function theory (ADFT), we examine the point defect absorption at [110] symmetrical tilt grain boundaries in body-centered cubic iron. It is found that the sink strength strongly depends on misorientation angle. We…

Materials Science · Physics 2015-12-18 O. Kapikranian , H. Zapolsky , R. Patte , C. Pareige , B. Radiguet , P. Pareige

A comparative study of fracture in Al is carried out by using quantum mechanical and empirical atomistic description of atomic interaction at crack tip. The former is accomplished with the density functional theory (DFT) based…

Mesoscale and Nanoscale Physics · Physics 2011-05-20 Qing Peng , Gang Lu

The interaction of water with surfaces is crucially important in a wide range of natural and technological settings. In particular, at low temperatures, unveiling the atomistic structure of adsorbed water clusters would provide valuable…

Materials Science · Physics 2024-02-23 F. Priante , N. Oinonen , Y. Tian , D. Guan , C. Xu , S. Cai , P. Liljeroth , Y. Jiang , A. S. Foster

It is shown that quantum effects play determining role in nitrogen adatom diffusion due to several different factors. This could be related to the change of the energy of the quantum states and also due to the redistribution of electrons…

Materials Science · Physics 2025-02-24 Paweł Strak , Cyprian Sobczak , Stanislaw Krukowski

Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for…

Quantum Physics · Physics 2017-09-01 J. D. Hood , A. Goban , A. Asenjo-Garcia , M. Lu , S. -P. Yu , D. E. Chang , H. J. Kimble

Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), an experimental and theoretical study of changes in the electronic structure (dispersion dependencies) and corresponding modification of the energy…

Since more than twenty years it is known that deposition of Ag onto Si(111)-(7\times7) leads under certain conditions to the formation of so-called "ring-like" clusters, that are particularly stable among small clusters. In order to resolve…

Atom density profile arising in the atomic beam after passing through the one or two microfabricated structures (MS) is considered. Two limiting cases the beam with large and small angular divergence are considered. An equivalence of the…

Atomic Physics · Physics 2007-05-23 B. Dubetsky , P. R. Berman

Atomic force microscopy (AFM) is an essential nanoinstrument technique for several applications such as cell biology and nanoelectronics metrology and inspection. The need for statistically significant sample sizes means that data…

Instrumentation and Detectors · Physics 2017-04-05 H. Sadeghian , R. Herfst , B. Dekker , J. Winters , T. Bijnagte , R. Rijnbeek

Optical tweezers have become essential tools to manipulate atoms or molecules at a single particle level. However, using standard diffracted-limited optical systems, the transverse size of the trap is lower bounded by the optical…

We demonstrate the fabrication of sharp nanopillars of high aspect ratio onto specialized atomic force microscopy (AFM) microcantilevers and their use for high-speed AFM of DNA and nucleoproteins in liquid. The fabrication technique uses…

Biomolecules · Quantitative Biology 2023-11-07 Frances I. Allen , José María De Teresa , Bibiana Onoa

The electrochemical permeation test is one of the most used methods for characterising hydrogen diffusion in metals. The flux of hydrogen atoms registered in the oxidation cell might be fitted to obtain apparent diffusivities. The magnitude…

Materials Science · Physics 2019-12-06 A. Díaz , I. I. Cuesta , E. Martínez-Pañeda , J. M. Alegre

We theoretically investigate spin-polarized transport in a system composed of a ferromagnetic Scanning Tunneling Microscope (STM) tip coupled to an adsorbed atom (adatom) on a host surface. Electrons can tunnel directly from the tip to the…

Mesoscale and Nanoscale Physics · Physics 2011-09-21 P. H. Penteado , F. M. Souza , A. C. Seridonio , E. Vernek , J. C. Egues

Atom interferometers allow determining inertial effects to high accuracy. Quantum-projection noise as well as systematic effects impose demands on large atomic flux as well as ultra-low expansion rates. Here we report on a high-flux source…

Phosphorus pentamer (cyclo-P5-) ions are unstable in nature but can be synthesized at the Ag(111) surface. Unlike monolayer black phosphorous, little is known about their electronic properties when in contact with metal electrodes, although…

Frequency modulation (FM) Atomic Force Microscopy (AFM) with metal tips functionalized with a CO molecule at the tip apex has provided access to the internal structure of molecules with totally unprecedented resolution. We propose a model…

Materials Science · Physics 2022-05-03 Jaime Carracedo-Cosme , Rubén Pérez

Atomic Force Microscopy (AFM) methods utilizing resonant mechanical vibrations of cantilevers in contact with a sample surface have shown sensitivities as high as few picometers for detecting surface displacements. Such a high sensitivity…

Mesoscale and Nanoscale Physics · Physics 2017-02-01 Nina Balke , Stephen Jesse , Ben Carmichael , M. Baris Okatan , Ivan I. Kravchenko , Sergei V. Kalinin , Alexander Tselev

The evolution of titanyl-phthalocyanine (TiOPc) thin films on Ag(111) has been investigated using IRAS, SPA-LEED and STM. In the (sub)monolayer regime various phases are observed that can be assigned to a 2D gas, a commensurate and a…

We present a joint experimental and theoretical determination of structures of Ag adatoms on the Ge(111) surface using low energy electron diffraction, low energy electron microscopy, scanning tunneling microscopy, and density functional…

Materials Science · Physics 2019-09-25 Shree Ram Acharya , Cory H. Mullet , Jason A. Giacomo , Duy Le , Shirley Chiang , Talat S. Rahman

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
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