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Structure determination is necessary to identify unknown organic molecules, such as those in natural products, forensic samples, the interstellar medium, and laboratory syntheses. Rotational spectroscopy enables structure determination by…

Machine Learning · Computer Science 2024-04-02 Austin Cheng , Alston Lo , Santiago Miret , Brooks Pate , Alán Aspuru-Guzik

While pyrochlore iridate thin films are theoretically predicted to possess a variety of emergent topological properties, experimental verification of these predictions can be obstructed by the challenge in thin film growth. Here we report…

We have numerically computed the reflectivity of X-ray incident normally onto Fibonacci multilayers, and compared the results with those obtained in periodic approximant multilayers. The constituent layers are of low and high refractive…

Condensed Matter · Physics 2009-10-28 F. Dominguez-Adame , E. Macia

Whether or not epitaxially grown superconducting films have the same bulk-like superconducting properties is an important concern. We report the structure and the electronic properties of epitaxially grown Ba(Fe1-xCox)2As2 films using…

Superconductivity · Physics 2018-08-01 S. Kim , S. Yi , M. Oh , B. G. Jang , W. Nam , Y. -C. Yoo , M. Lee , H. Jeon , I. Zoh , H. Lee , C. Zhang , K. H. Kim , J. Seo , J. H. Shim , J. S. Chae , Y. Kuk

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…

Chemical Physics · Physics 2021-10-13 Xinyao Liu , Kasra Amini , Aurelien Sanchez , Blanca Belsa , Tobias Steinle , Jens Biegert

$3d-2d$ dimensional reduction for hyperelastic thin films modeled through energies with point dependent growth, assuming that the sample is clamped on the lateral boundary, is performed in the framework of $\Gamma$-convergence. Integral…

Analysis of PDEs · Mathematics 2023-06-02 Michela Eleuteri , Francesca Prinari , Elvira Zappale

Directly imaging structural dynamics involving hydrogen atoms by ultrafast diffraction methods is complicated by their low scattering cross-sections. Here we demonstrate that megaelectronvolt ultrafast electron diffraction is sufficiently…

SnTe belongs to the recently discovered class of topological crystalline insulators. Here we study the formation of line defects which break crystalline symmetry by strain in thin SnTe films. Strained SnTe(111) films are grown by molecular…

While preserving many of the unusual features of single-layer graphene, few-layer graphene (FLG) provides a richness and flexibility of electronic structure that render this set of materials of great interest for both fundamental studies…

Mesoscale and Nanoscale Physics · Physics 2009-08-04 Kin Fai Mak , Matthew Y. Sfeir , James A. Misewich , Tony F. Heinz

The properties of semiconductors and functional dielectrics are defined by their response in electric fields, which may be perturbed by defects and the strain they generate. In this work, we demonstrate how diffraction-based X-ray…

Materials Science · Physics 2024-11-12 Trygve Magnus Ræder , Urko Petralanda , Thomas Olsen , Hugh Simons

A Chern-Simons theory in 3D is accomplished by the so-called $\theta$-term in the action, $(\theta/2)\int F\wedge F$, which contributes only to observable effects on the boundaries of such a system. When electromagnetic radiation interacts…

High Energy Physics - Theory · Physics 2017-01-18 Luis Huerta

We show that the symmetries of image formation by scattering enable graph-theoretic manifold-embedding techniques to extract structural and timing information from simulated and experimental snapshots at extremely low signal. The approach…

Computational Physics · Physics 2011-09-27 Peter Schwander , Chun Hong Yoon , Abbas Ourmazd , Dimitrios Giannakis

A dynamic diffraction theory is developed for describing electron diffraction by dielectric crystals in a strong electromagnetic field. It is shown that additional diffraction maxima arise in an electromagnetic field, their intensity…

Atomic Physics · Physics 2018-02-15 Yulian Shabolovski

The structural investigations of nanomaterials motivated by their large variety and diverse set of applications have attracted considerable attention. In particular, the ever-improving machinery, both in laboratory and at large scale…

Materials Science · Physics 2020-04-07 Dominik Kriegner , Milan Dopita

There has been growing interest in perovskite BaSnO3 due to its desirable properties for oxide electronic devices including high electron mobility at room temperature and optical transparency. As these electronic and optical properties…

Optimizing the performance of organic solar cells (OSCs) hinges on a comprehensive understanding of their nanostructures, yet traditional characterization methods often fall short, delivering incomplete structural snapshots. We introduce…

The electronic structures of epitaxially grown films of Ti3AlC2, Ti3SiC2 and Ti3GeC2 have been investigated by bulk-sensitive soft X-ray emission spectroscopy. The measured high-resolution Ti L, C K, Al L, Si L and Ge M emission spectra are…

The intricate fine structure of Kikuchi diffraction plays a vital role in probing phase transformations and strain distributions in functional materials, particularly in electron microscopy. Beyond these applications, it also proves…

A discrete-to-continuum analysis for free-boundary problems related to crystalline films deposited on substrates is performed by $\Gamma$-convergence. The discrete model here introduced is characterized by an energy with two contributions,…

Analysis of PDEs · Mathematics 2019-02-19 Leonard Kreutz , Paolo Piovano

Chromium selenide thin films were grown epitaxially on Al${_2}$O${_3}$(0001) and Si(111)-(7${\times}$7) substrates using molecular beam epitaxy (MBE). Sharp streaks in reflection high-energy electron diffraction and triangular structures in…