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Electronic transitions in molecules due to the absorption or emission of light is a complex quantum mechanical process. Their study plays an important role in the design of novel materials. A common yet challenging task in the study is to…

Human-Computer Interaction · Computer Science 2023-02-02 Mohit Sharma , Talha Bin Masood , Signe S. Thygesen , Mathieu Linares , Ingrid Hotz , Vijay Natarajan

The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…

Human-Computer Interaction · Computer Science 2021-06-03 Talha Bin Masood , Signe Sidwall Thygesen , Mathieu Linares , Alexei I. Abrikosov , Vijay Natarajan , Ingrid Hotz

Photoinduced electronic transitions are complex quantum-mechanical processes where electrons move between energy levels due to light absorption. This induces dynamics in electronic structure and nuclear geometry, driving important physical…

Human-Computer Interaction · Computer Science 2025-02-25 Mohit Sharma , Talha Bin Masood , Nanna Holmgaard List , Ingrid Hotz , Vijay Natarajan

Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…

Chemical Physics · Physics 2021-03-05 Ciro A. Guido , Enzo Rotunno , Matteo Zanfrognini , Stefano Corni , Vincenzo Grillo

We introduce the particle-hole map (PHM), a visualization tool to analyze electronic excitations in molecules in the time or frequency domain, to be used in conjunction with time-dependent density-functional theory (TDDFT) or other ab…

Chemical Physics · Physics 2015-10-15 Yonghui Li , Carsten A. Ullrich

We introduce a machine learning approach to determine the transition dynamics of silicon atoms on a single layer of carbon atoms, when stimulated by the electron beam of a scanning transmission electron microscope (STEM). Our method is…

Electron transmission through molecules and molecular interfaces has been a subject of intensive research due to recent interest in electron transfer phenomena underlying the operation of the scanning tunneling microscope (STM) on one hand,…

Condensed Matter · Physics 2015-06-24 Abraham Nitzan

Inelastic electron scattering by the adsorbate covered Pt(100) single crystal surface is studied by Disappearance Potential Spectroscopy and density of states (DOS) calculations. Two peculiar channels of elastic electron consumption are…

Materials Science · Physics 2012-09-17 A. R. Cholach , V. M. Tapilin

Identifying thermodynamic signatures of electronic phases, such as superconductivity, is challenging in low-dimensional materials due to strong fluctuations and low probing volume. Spectroscopic methods are often used to identify new bulk…

Superconductivity · Physics 2025-04-15 Xu Chen , Yuanjie Sun , Eugen Hruska , Vivek Dixit , Jinming Yang , Yu He , Yao Wang , Fang Liu

Transient X-ray absorption techniques can measure ultrafast dynamics of the elemental edges in a material or multiple layer junction, giving them immense potential for deconvoluting concurrent processes. However, the interpretation of the…

Materials Science · Physics 2021-06-10 Hanzhe Liu , Isabel M. Klein , Jonathan M. Michelsen , Scott K. Cushing

Strongly-correlated two-dimensional electrons in coupled semiconductor bilayers display remarkable broken symmetry many-body states under accessible and controllable experimental conditions. In the cases of continuous quantum phase…

The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…

Chemical Physics · Physics 2022-02-14 Janus J. Eriksen

We study the quantum Hall liquid and the metal-insulator transition in a high mobility two dimensional electron gas, by means of photoluminescence and magneto-transport. In the integer and fractional regime at nu > 1/3, analyzing the…

Strongly Correlated Electrons · Physics 2011-04-20 F. Dionigi , F. Rossella , V. Bellani , M. Amado , E. Diez , K. Kowalik , G. Biasiol , L. Sorba

Scanning transmission electron microscopy (STEM) has become the technique of choice for quantitative characterization of atomic structure of materials, where the minute displacements of atomic columns from high-symmetry positions can be…

Materials Science · Physics 2021-10-05 Kevin M. Roccapriore , Nicole Creange , Maxim Ziatdinov , Sergei V. Kalinin

Strong multiple scattering of the probe in scanning transmission electron microscopy (STEM) means image simulations are usually required for quantitative interpretation and analysis of elemental maps produced by electron energy-loss…

Materials Science · Physics 2019-12-25 Hamish G. Brown , Jim Ciston , Colin Ophus

Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…

Image and Video Processing · Electrical Eng. & Systems 2019-01-15 Xin Li , Ondrej E. Dyck , Mark P. Oxley , Andrew R. Lupini , Leland McInnes , John Healy , Stephen Jesse , Sergei V. Kalinin

Transition metal dichalcogenide semiconductors represent elementary components of layered heterostructures for emergent technologies beyond conventional opto-electronics. In their monolayer form they host electrons with quantized circular…

Time-resolved X-ray absorption spectroscopy has been utilized to monitor the bimolecular electron transfer in a photocatalytic water splitting system for the first time. This has been possible by uniting the local probe and element specific…

In the field of transmission electron microscopy, data interpretation often lags behind acquisition methods, as image processing methods often have to be manually tailored to individual datasets. Machine learning offers a promising approach…

Image and Video Processing · Electrical Eng. & Systems 2021-07-07 C. K. Groschner , Christina Choi , M. C. Scott

Transformation optics (TO) is a new tool for controlling electromagnetic fields. In the context of metamaterial technology, it provides a direct link between a desired electromagnetic (EM) phenomenon and the material response required for…

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