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In this work, we studied the adsorption behavior of deposited Si atoms along with their diffusion and other dynamic processes on a Pb monolayer-covered Si(111) surface from 125-230 K using a variable-temperature scanning tunneling…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Rakesh Kumar , Chuang-Kai Fang , Chih-Hao Lee , Ing-Shouh Hwang

We report first principles ab initio density functional calculations of hydrogen dynam- ics in hydrogenated amorphous silicon. Thermal motion of the host Si atoms drives H diffusion, as we demonstrate by direct simulation and explain with…

Materials Science · Physics 2009-11-11 T. A. Abtew , F. Inam , D. A. Drabold

Recent experimental measurements of Ag impurity diffusion in the {\Sigma}5 (310) grain boundary (GB) in Cu revealed an unusual non-Arrhenius behavior suggestive of a possible structural transformation [Divinski et al., Phys. Rev. B 85,…

Materials Science · Physics 2013-06-24 T. Frolov , S. V. Divinski , M. Asta , Y. Mishin

We investigate the process by which a water molecule diffuses on the surface of an Al(111) electrode under constant bias voltage by first-principles density functional theory. To understand the diffusion path of the water on the Al(111), we…

Other Condensed Matter · Physics 2021-06-09 Satoshi Hagiwara , Chunping Hu , Satomichi Nishihara , Minoru Otani

We study the non-contact friction between an atomic force microscope tip and a metal substrate in the presence of bias voltage. The friction is due to energy losses in the sample created by the electromagnetic field from the oscillating…

Materials Science · Physics 2009-11-11 A. I. Volokitin , B. N. J. Persson

Adsorbed atoms (adatoms) coupled to the matrix of solid state host materials as impurities can significantly modify their properties. Especially in low-dimensional materials, such as one-dimensional organic polymer chains or…

Mesoscale and Nanoscale Physics · Physics 2021-12-22 Marvin M. Müller , Miriam Kosik , Marta Pelc , Garnett W. Bryant , Andrés Ayuela , Carsten Rockstuhl , Karolina Słowik

Using scanning tunneling microscopy together with the first-principles density functional theory calculations we study structural properties of the Si(111)5x2-Au surface covered by Ag adatoms. The STM topography data show that a…

Mesoscale and Nanoscale Physics · Physics 2014-10-09 A. Stepniak , M. Krawiec , M. Jalochowski

Atomic and molecular scattering at semiconductor interfaces plays a central role in surface chemistry and catalysis, yet predictive simulations remain challenging due to strong nonadiabatic effects causing the breakdown of the…

Materials Science · Physics 2026-01-16 Xiaohan Dan , Zhuoran Long , Tianyin Qiu , Jan Paul Menzel , Qiang Shi , Victor S. Batista

Conventional dynamic atomic force microscopy (AFM) can be extended to bimodal and multimodal AFM in which the cantilever is simultaneously excited at two ore more resonance frequencies. Such excitation schemes result in one additional…

Mesoscale and Nanoscale Physics · Physics 2014-11-19 Daniel Forchheimer , Stanislav S. Borysov , Daniel Platz , David B. Haviland

A coherent electromagnetic field can be described by its amplitude, frequency, and phase. All these properties can influence the interaction between the field and an atom. Here we demonstrate the phase shaping of microwaves that are…

We investigate experimentally the diffraction of fast atoms of noble gas on a LiF(100) crystal oriented along the [100] and [110] directions. The wavelengths are so short that the observed quantum features are qualitatively described by…

Atomic Physics · Physics 2025-10-14 Debiossac Maxime , Pan Peng , Kanitz Carina , Roncin Philippe

Knowledge of surface forces is the key to understanding a large number of processes in fields ranging from physics to material science and biology. The most common method to study surfaces is dynamic atomic force microscopy (AFM). Dynamic…

Mesoscale and Nanoscale Physics · Physics 2013-02-06 Daniel Platz , Daniel Forchheimer , Erik A. Tholen , David B. Haviland

Ballistic conductance through a single atom adsorbed on a metallic surface and probed by a scanning tunneling microscope (STM) tip can be decomposed into eigenchannel contributions, which can be potentially obtained from shot noise…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Martyna Polok , Dmitry V. Fedorov , Alexei Bagrets , Peter Zahn , Ingrid Mertig

The diffusivity of Ga and Al adatoms on the (2x4) reconstructed GaAs(001) surface are evaluated using detailed ab initio total energy calculations of the potential energy surface together with transition state theory. A strong diffusion…

mtrl-th · Physics 2008-02-03 A. Kley , M. Scheffler

The contrast obtained in scanning tunneling microscopy (STM) and atomic force microscopy (AFM) images is determined by the tip termination and symmetry. Functionalizing the tip with a single metal atom, CO molecule or organic species has…

Materials Science · Physics 2018-12-05 Margareta Wagner , Martin Setvin , Michael Schmid , Ulrike Diebold

Controlling the microstructure of thin films is of critical importance for various applications. We demonstrate a methodology for tuning the local microstructure through film-substrate interactions using Ag-Cu as a model system. Metastable…

Materials Science · Physics 2026-04-29 Vivek C. Peddiraju , Shourya Dutta-Gupta , Subhradeep Chatterjee

Small oscillation amplitudes in dynamic atomic force microscopy can lead to invasive and high resolution imaging. Here we discuss small oscillation amplitude imaging in the context of ambient conditions and simultaneously excite the second…

Mesoscale and Nanoscale Physics · Physics 2014-01-30 Sergio Santos

The diffusion of silver (Ag) impurities in high energy grain boundaries (HEGBs) of cubic (3C) silicon carbide (SiC) is studied using an ab initio based kinetic Monte Carlo (kMC) model. This study assesses the hypothesis that the HEGB…

Materials Science · Physics 2016-07-19 Hyunseok Ko , Jie Deng , Izabela Szlufarska , Dane Morgan

We propose a new structural model for the Si(111)-(5x2)-Au reconstruction. The model incorporates a new experimental value of 0.6 monolayer for the coverage of gold atoms, equivalent to six gold atoms per 5x2 cell. Five main theoretical…

Materials Science · Physics 2015-05-14 Steven C. Erwin , Ingo Barke , F. J. Himpsel

The atomic force microscope (AFM) is a versatile, high-resolution tool used to characterize the topography and material properties of a large variety of specimens at nano-scale. The interaction of the micro-cantilever tip with the specimen…

Materials Science · Physics 2011-09-05 David Busch , Qingze Zou , Baskar Ganapathysubramanian
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