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Classical atomistic simulations based on interatomic potentials resolve lattice instabilities, defect nucleation, and microstructure evolution with high fidelity, but their accessible system sizes remain far below those required for…

数值分析 · 数学 2026-05-26 Aagashram Neelakandan , Karsten Albe , Bernhard Eidel

The Si(001) surface deoxidized by short annealing at T~925C in the ultrahigh vacuum molecular beam epitaxy chamber has been in situ investigated by high resolution scanning tunnelling microscopy (STM) and reflected high energy electron…

材料科学 · 物理学 2011-11-11 Larisa V. Arapkina , Vladimir M. Shevlyuga , Vladimir A. Yuryev

The deposition of one silicon monolayer on Ag(111) gives rise to a set of superstructures depending on growth conditions. These superstructures are correlated to the epitaxy between the honeycomb structure of silicon (so called silicene)…

材料科学 · 物理学 2015-09-30 H. Jamgotchian , B. Ealet , Y. Colignon , H. Maradj , J-Y. Hoarau , J-P. Biberian , B. Aufray

We report our detailed investigation of high-resolution imaging using secondary electrons (SE) with a subnanometer probe in an aberration-corrected transmission electron microscope, Hitachi HD2700C. This instrument also allows us to acquire…

材料科学 · 物理学 2010-08-31 H. Inada , D. Su , R. F. Egerton , M. Konno , L. Wu , J. Ciston , J. Wall , Y. Zhu

The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics (MD). Whereas the STM provides atomically resolved information about the surface…

We review the problem of spin decoherence of magnetic atoms deposited on a surface. Recent breakthroughs in scanning tunnelling microscopy (STM) make it possible to probe the spin dynamics of individual atoms, either isolated or integrated…

介观与纳米尺度物理 · 物理学 2017-02-14 F. Delgado , J. Fernández-Rossier

First-principles calculations of work function tuning induced by different chemical terminations on Si(100) surface are presented and discussed. We find that the presence of halogen atoms (I, Br, Cl, and F) leads to an increase of the work…

材料科学 · 物理学 2018-09-24 Matteo Bertocchi , Michele Amato , Ivan Marri , Stefano Ossicini

Stacking faults (SF) are important structural defects that play an essential role in the deformation of engineering alloys. However, direct observation of stacking faults at the atomic scale can be challenging. Here, we use the analytical…

Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) are considered a key materials class to scale microelectronics to the ultimate atomic level. The robust quantum properties in TMDs also enable new device concepts…

材料科学 · 物理学 2021-10-11 Joshua A. Robinson , Bruno Schuler

In the recent paper by Teys [JETP Letters 105 (8), 477-483 (2017)], an atomic model for the Si(331) reconstructed surface (hereby referred to as T-model) was proposed on the basis of high-resolution scanning tunneling microscopy (STM)…

材料科学 · 物理学 2017-11-10 R. Zhachuk , J. Coutinho

We perform ab initio calculations of hydrogen-based tunneling defects in alumina to identify deleterious two-level systems (TLS) in superconducting qubits. The defects analyzed include bulk hydrogenated Al vacancies, bulk hydrogen…

材料科学 · 物理学 2013-10-23 Aaron M. Holder , Kevin D. Osborn , C. J. Lobb , Charles B. Musgrave

A topological defect separating a pair of two-dimensional CFTs is a codimension one interface along which all components of the stress-energy tensor glue continuously. We study topological defects of the bosonic, (0,1)- and…

高能物理 - 理论 · 物理学 2010-10-01 Anton Kapustin , Kevin Setter

Several amorphous silicon structures were generated using a classical molecular dynamics (MD) protocol of melting and quenching with different quenching rates. An analysis of the calculated electronic properties of these structures revealed…

材料科学 · 物理学 2020-12-23 Reza Vatan Meidanshahi , Payam Mehr , Stephan Marshal Goodnick

We present a first-principle study of geometrical and electronic structure of hexagonal single-walled silicon nanotubes with a monovacancy or a substitutional defect. The C, Al or P atoms are chosen as substitutional impurities. It is found…

材料科学 · 物理学 2007-09-11 Gunn Kim , Suklyun Hong

Pre-growth preparation of the Si(001) clean surface is a key process for Ge/Si UHV MBE. It usually includes pre-cleaning by liquid etchants, thermal pretreatment in UHV and removal of SiO2 or a different protective coat prior to MBE.…

材料科学 · 物理学 2011-05-18 L. V. Arapkina , V. A. Yuryev , K. V. Chizh , V. M. Shevlyuga , M. S. Storojevyh , L. A. Krylova

We analyze both the stationary and time-dependent properties of molecular states in atomic chains on a surface, some of which are composed of atomic states decoupled from the substrate - a phenomenon analogous to dark states in quantum dot…

介观与纳米尺度物理 · 物理学 2025-07-02 Tomasz Kwapiński , Marek Dachniewicz , Marcin Kurzyna , Mieczysław Jałochowski

Silicene is predicted to possess exotic electronic properties and a forerunner amongst all 2D materials for the development of exotic devices using present silicon technology. Here we report the synthesis of free standing layered 2D…

材料科学 · 物理学 2015-11-17 Shukla Shobha , Chaudhary Raghvendra Pratap , Saxena Sumit

Hydrogenated amorphous silicon (a-Si:H) is a material having an intrinsically high radiation hardness that can be deposited on flexible substrates like Polyimide. For these properties a-Si:H can be used for the production of flexible…

The present work is essentially focused on the study of optical and structural properties of hydrogenated amorphous silicon thin films (a-Si:H) prepared by radio-frequency cathodic sputtering. We examine separately the influence of hydrogen…

材料科学 · 物理学 2007-05-23 A. Barhdadi , M. Chafik El Idrissi

The controlled generation and manipulation of atom-like defects in solids has a wide range of applications in quantum technology. Although various defect centres have displayed promise as either quantum sensors, single photon emitters or…