Publications related to Atomic electron transition

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

EPFL2024

Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid

Tomasz Poreba

The thermal behavior of 3-benzoylpropionic acid (BPA) was investigated using single-crystal and synchrotron powder X-diffraction, as well as differential scanning calorimetry analysis. The study revealed the existence of two subtly distinct structures of B ...

ROYAL SOC CHEMISTRY2023

Dipole polarizability of time-varying particles

Romain Christophe Rémy Fleury, Theodoros Koutserimpas, Mohammad Sajjad Mirmoosa

Invariance under time translation (or stationarity) is probably one of the most important assumptions made when investigating electromagnetic phenomena. Breaking this assumption is expected to open up novel possibilities and result in exceeding conventiona ...

2022

Creating and controlling exceptional points of non-Hermitian Hamiltonians via homodyne Lindbladian invariance

Fabrizio Minganti

The exceptional points (EPs) of non-Hermitian Hamiltonians (NHHs) are spectral degeneracies associated with coalescing eigenvalues and eigenvectors, which are associated with remarkable dynamical properties. These EPs can be generated experimentally in ope ...

AMER PHYSICAL SOC2022

Isolation and characterization of diazoolefins

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Zhaowen Dong, Paul Varava

Diazoolefins tend to be highly reactive compounds that rapidly lose dinitrogen. So far, most experimental evidence for diazoolefins is indirect, via trapping experiments. Here we show that diazoolefins are observed to form in reactions of N-heterocyclic ol ...

2021

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Michele Ceriotti, David Mark Wilkins, Max David Veit, Yang Yang

The molecular dipole moment (mu) is a central quantity in chemistry. It is essential in predicting infrared and sum-frequency generation spectra as well as induction and long-range electrostatic interactions. Furthermore, it can be extracted directly-via t ...

AMER INST PHYSICS2020

Investigation of the fine structure of antihydrogen

Shirit Cohen

At the historic Shelter Island Conference on the Foundations of Quantum Mechanics in 1947, Willis Lamb reported an unexpected feature in the fine structure of atomic hydrogen: a separation of the 2S(1/2) and 2P(1/2) states(1). The observation of this separ ...

2020

Semiclassical Approach to Photophysics Beyond Kasha’s Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene

Jacques-Edouard Moser, Jiri Vanicek, Zhan Tong Zhang, Antonio Prlj, Tomas Zimmermann, Tomislav Begusic, George Cameron Fish, Seonghoon Choi, Marius Wehrle, Julien Roulet

Azulene is a prototypical molecule with ananomalousfluorescence from the second excited electronic state,thus violating Kasha’s rule, and with an emission spectrum thatcannot be understood within the Condon approximation. To betterunderstand the photophysi ...

2020

Spin-1/2 kagome Heisenberg antiferromagnet with strong breathing anisotropy

Frédéric Mila, Seyed Saeed Soyouf Jahromi

We study the zero-temperature phase diagram of the spin-1/2 Heisenberg model with breathing anisotropy (i.e., with different coupling strength on the upward and downward triangles) on the kagome lattice. Our study relies on large scale tensor network simul ...

SCIPOST FOUNDATION2020

Structure and properties of edge dislocations in BiFeO3

Cécile Hébert, Daniele Passerone, Rolf Erni, Piyush Agrawal

Edge dislocations are frequently found in epitaxial BiFeO3 multiferroic thin films and are expected to exhibit distinctive and localized magnetoelectric properties. However, an exhaustive characterization of these dislocations at the atomic level has to da ...

AMER PHYSICAL SOC2019

Facile Production of Hexagonal Boron Nitride Nanoparticles by Cryogenic Exfoliation

Aleksandra Radenovic, Evgenii Glushkov, Andrey Chernev, Vytautas Navikas, Jean Camille Benjamin Comtet

Fluorescent nanoparticles with optically robust luminescence are imperative to applications in imaging and labeling. Here we demonstrate that hexagonal boron nitride (hBN) nanoparticles can be reliably produced using a scalable cryogenic exfoliation techni ...

AMER CHEMICAL SOC2019

Linear collisionless dynamics of the GAM with kinetic electrons: Comparison simulations/theory

Alberto Bottino

Barely trapped and passing electrons have been recently predicted to strongly enhance the damping rate of Geodesic Acoustic Modes (GAMs) in tokamak plasmas, while keeping their real frequency almost unchanged as compared to the case with adiabatic electron ...

AMER INST PHYSICS2019

Exact diagonalization study of the Hubbard-parametrized four-spin ring exchange model on a square lattice

Henrik Moodysson Rønnow, Noore Elahi Shaik, Sofie Janas

We have used exact numerical diagonalization to study the excitation spectrum and the dynamic spin correlations in the s = 1/2 next-next-nearest-neighbor Heisenberg antiferromagnet on the square lattice, with additional four-spin ring exchange from higher- ...

AMER PHYSICAL SOC2019

Atomic-Level Microstructure of Efficient Formamidinium-Based Perovskite Solar Cells Stabilized by 5-Ammonium Valeric Acid Iodide Revealed by Multinuclear and Two-Dimensional Solid-State NMR

Michael Graetzel, Shaik Mohammed Zakeeruddin, David Lyndon Emsley, Ursula Röthlisberger, Jacques-Edouard Moser, Jovana Milic, Marko Mladenovic, Dominik Józef Kubicki, Fabrizio Giordano, Dan Ren, Daniel Prochowicz, Marine Eva Fedora Bouduban, Essa Awadh R Alharbi, Anwar Qasem M Alanazi, Farzaneh Jahanbakhshi

Chemical doping of inorganic–organic hybrid perovskites is an effective way of improving the performance and operational stability of perovskite solar cells (PSCs). Here we use 5-ammonium valeric acid iodide (AVAI) to chemically stabilize the structure of ...

2019

Orb5: A global electromagnetic gyrokinetic code using the PIC approach in toroidal geometry

Laurent Villard, Stephan Brunner, Emmanuel Lanti, Sébastien Jolliet, Alberto Bottino, Thibaut Vernay, Ben McMillan, Paolo Angelino, Julien Stanislas Pierre Dominski, Noé Thomas Elie Ohana, Claudio Gheller, Aaron Lewis Scheinberg

This paper presents the current state of the global gyrokinetic code Orb5 as an update of the previous reference (Jolliet et al., 2007). The Orb5 code solves the electromagnetic Vlasov–Maxwell system of equations using a PIC scheme and also includes collis ...

2019

Hydrogen Diffusion and Trapping in α-Iron: The Role of Quantum and Anharmonic Fluctuations

Michele Ceriotti, Bingqing Cheng

We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic α-iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show that the diffusivity o ...

2018

Reconstruction of biological pathways and metabolic networks from in silico labeled metabolites

Vassily Hatzimanikatis, Jasmin Maria Hafner, Noushin Hadadi, Keng Cher Soh

Reaction atom mappings track the positional changes of all of the atoms between the substrates and the products as they undergo the biochemical transformation. However, information on atom transitions in the context of metabolic pathways is not widely avai ...

Wiley-V C H Verlag Gmbh2017

Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field

Aurélien Kevin Fabrice Patoz

Understanding the elementary steps involved in a chemical reaction forms the cornerstone of physical chemistry research. One way to deepen this understanding is by studying chemical and physical processes using linear and nonlinear spectroscopic techniques ...

EPFL2017

Spectroscopic Studies of the Electronic Structure in Layered Cuprates and Ruthenates

Claudia Giuseppina Fatuzzo

In materials where electrons interact strongly, a number of exotic and exciting phenomena arise. The mechanisms at the base of many of these phenomena remain debated, as strongly correlated electron physics represents one of the biggest challenges for mode ...

EPFL2017

Stabilization of the chiral phase of theSU(6m)Heisenberg model on the honeycomb lattice withmparticles per site formlarger than 1

Frédéric Mila, Jérôme Dufour

Low-dimensional quantum magnets at finite temperatures present a complex interplay of quantum and thermal fluctuation effects in a restricted phase space. While some information about dynamical response functions is available from theoretical studies of th ...

2016