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We present first-principles calculations of the structural and electronic properties of Si(001)-SiO2 interfaces. We first arrive at reasonable structures for the c-Si/a-SiO2 interface via a Monte-Carlo simulated annealing applied to an…

Materials Science · Physics 2009-10-31 Kwok-On Ng , David Vanderbilt

Atom specific valence electronic structures at interface are elucidated successfully using soft x-ray absorption and emission spectroscopy. In order to demonstrate the versatility of this method, we investigated SiO2/Si interface as a…

Polarized neutron reflectivity measurements of a ferromagnetic [(LaMnO$_3$)$_{11.8}$/(SrMnO$_3$)$_{4.4}$]$_6$ superlattice reveal a modulated magnetic structure with an enhanced magnetization at the interfaces where LaMnO$_3$ was deposited…

A detailed interface study was conducted on a Fe/MgO/Fe system using laser assisted 3D atom probe. It exhibits an additional oxide formation at the second interface of the multilayer structure independent of laser wavelength, laser fluence…

Atomic Physics · Physics 2011-05-26 B. Mazumder , M. Gruber , A. Vella , F. Vurpillot , B. Deconihout

Amorphous solids such as glass are ubiquitous in our daily life and have found broad applications ranging from window glass and solar cells to telecommunications and transformer cores. However, due to the lack of long-range order, the…

2D electron gases (2DEGs) formed at oxide interfaces provide a rich testbed for fundamental physics and device applications. While the discussion of the physical origins of this phenomenon continues, the recent discovery of oxide 2DEGs at…

Materials Science · Physics 2018-08-01 Dana Cohen-Azarzar , Maria Baskin , Lior Kornblum

We present a computational study of the adhesive and structural properties of the Al/Al2O3 interfaces as building blocks of the Metal-Insulator-Metal (MIM) tunnel devices, where electron transport is accomplished via tunnelling mechanism…

Mesoscale and Nanoscale Physics · Physics 2018-05-09 M. Koberidze , M. J. Puska , R. M. Nieminen

Galvanic replacement reactions on metal nanoparticles are often used for the preparation of hollow nanostructures with tunable porosity and chemical composition, leading to tailored optical and catalytic properties. However, the precise…

The surface/interface species in perovskite oxides play an essential role in many novel emergent physical phenomena and chemical processes. With low eigen-energy in the terahertz region, such species at buried interfaces remain poorly…

The semiconductor-metal junction is one of the most critical factors for high performance electronic devices. In two-dimensional (2D) semiconductor devices, minimizing the voltage drop at this junction is particularly challenging and…

Systematic exploration of amorphous ABC heterostructures revealed that nanoscale morphological modifications markedly improved their artificial bulk second-order susceptibility. These amorphous birefringent heterostructures were fabricated…

The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…

Materials Science · Physics 2019-05-09 Kyeong Tae Kang , Jeongmin Park , Dongseok Suh , Woo Seok Choi

Understanding the oxidation and reduction mechanisms of catalytically active transition metal nanoparticles is important to improve their application in a variety of chemical processes. In nanocatalysis the nanoparticles can undergo…

Chemical Physics · Physics 2017-05-18 Alec Lagrow , Michael Ward , David Lloyd , Pratibha Gai , Edward Boyes

In the field of atomically thin 2D materials, oxides are relatively unexplored in spite of the large number of layered oxide structures amenable to exfoliation. There is an increasing interest in ultra-thin film oxide nanostructures from…

Interfaces between metals based on AlO$_{x}$ represent the most popular basis for Josephson junctions or, more recently, also for junctions exhibiting substantial tunneling magneto-resistance. We have performed a computational study of…

Materials Science · Physics 2008-03-18 M. Dieskova , M. Konopka , P. Bokes

Many of the recent advancements in oxide heterostructures have been attributed to modification of spin, charge, lattice, and orbital order parameters at atomically well-defined interfaces. However, the details on the structural, chemical,…

Measuring the three-dimensional (3D) distribution of chemistry in nanoscale matter is a longstanding challenge for metrological science. The inelastic scattering events required for 3D chemical imaging are too rare, requiring high beam…

The oxidation and corrosion of metals are fundamental problems in materials science and technology that have been studied using a large variety of experimental and computational techniques. Here we review some of the recent studies that…

Materials Science · Physics 2015-08-06 Chiara Gattinoni , Angelos Michaelides

Zr oxides and oxynitrides are promising candidates to replace precious metal cathodes in polymer electrolyte fuel cells. Oxygen reduction reaction activity in this class of materials has been correlated with the amount of oxygen vacancies,…

Materials Science · Physics 2025-02-18 Akitaka Nakanishi , Shusuke Kasamatsu , Jun Haruyama , Osamu Sugino

To investigate the performance of three-dimensional (3D) nanostructures, it is vital to study in situ their internal structure non-destructively. Hence, we perform synchrotron X-ray holographic tomography on exemplary 3D silicon photonic…