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Materias / palabras clave: Science: Physics

Materias / palabras clave: Science: Physics

We report on a reversible structural phase transition of a two-dimensional system that can be locally induced by an external electric field. Two different structural configurations may coexist within a CO monolayer on Cu...

Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles phonon calculations cannot be overly emp...

We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-temperature density-functional theory of the o...

The semiconductor ZnO has gained substantial interest in the research community in part because of its large exciton binding energy (60meV) which could lead to lasing action based on exciton recombination even above room...

Anomaly detection is an important problem that has been researched within diverse research areas and application domains. Many anomaly detection techniques have been specifically developed for certain application domains...

The dispersion and absorption of a considerable number of liquid and dielectrics are represented by the empirical formula ε*−ε∞=(ε0−ε∞)/[1+(iωτ0)1−α]. In this equation, ε* is the complex dielectric cons...

We present a simple procedure to generate first-principles norm-conserving pseudopotentials, which are designed to be smooth and therefore save computational resources when used with a plane-wave basis. We found that the...

We describe monocrystalline graphitic films, which are a few atoms thick but are nonetheless stable under ambient conditions, metallic, and of remarkably high quality. The films are found to be a two-dimensional semimeta...

We demonstrate how by taking better account of electron correlations in the $3d$ shell of metal ions in nickel oxide it is possible to improve the description of both electron energy loss spectra and parameters character...

Novel physical phenomena can emerge in low-dimensional nanomaterials. Bulk MoS(2), a prototypical metal dichalcogenide, is an indirect bandgap semiconductor with negligible photoluminescence. When the MoS(2) crystal is t...

Materias / palabras clave: Graphene; Condensed matter physics; Quantum Hall effect; Physics; Electron; Landau quantization; Quantum point contact; Materials science; Quantum well; Quantum mechanics; Laser

We have studied the magnetoresistance of (001)Fe/(001)Cr superlattices prepared by molecularbeam epitaxy. A huge magnetoresistance is found in superlattices with thin Cr layers: For example, with ${t}_{\mathrm{Cr}}=9$ \A...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIntermolecular interactions from a natural bond orbital, donor-acceptor viewpointAlan E. Reed, Larry A. Curtiss, and Frank WeinholdCite this: Chem. Rev. 1988, 88, 6, 899–926P...

We show that microstructures built from nonmagnetic conducting sheets exhibit an effective magnetic permeability /spl mu//sub eff/, which can be tuned to values not accessible in naturally occurring materials, including ...

We measured the elastic properties and intrinsic breaking strength of free-standing monolayer graphene membranes by nanoindentation in an atomic force microscope. The force-displacement behavior is interpreted within a f...

The optical constants $n$ and $k$ were obtained for the noble metals (copper, silver, and gold) from reflection and transmission measurements on vacuum-evaporated thin films at room temperature, in the spectral range 0.5...

Abstract The optical constants of amorphous Ge are determined for the photon energies from 0.08 to 1.6 eV. From 0.08 to 0.5 eV, the absorption is due to k ‐conserving transitions of holes between the valence bands as i...

Materias / palabras clave: Superconductivity; Electrical resistivity and conductivity; Crystallite; Condensed matter physics; Perovskite (structure); Copper; Materials science; Metal; Analytical Chemistry (journal); Chemistry; Crystallography; Met...

Materias / palabras clave: Graphene; van der Waals force; Heterojunction; Silicene; Nanotechnology; Monolayer; Materials science; Hexagonal boron nitride; Fabrication; Chemical physics; Condensed matter physics; Chemistry

Abstract This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chem...

The field of phase transitions and critical phenomena continues to be active in research, producing a steady stream of interesting and fruitful results. It has moved into a central place in condensed matter studies. Stat...

First-principles simulation, meaning density-functional theory calculations with plane waves and pseudopotentials, has become a prized technique in condensed-matter theory. Here I look at the basics of the suject, give a...