Publication

Microscopic origin of concentration fluctuations over intermediate range distances in network-forming disordered systems

Publications associées (32)

Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays

Giorgio Rossi, Christoph Bostedt, Alessandro Colombo

Characterizing and controlling the uniformity of nanoparticles is crucial for their application in science and technology because crystalline defects in the nanoparticles strongly affect their unique properties. Recently, ultra-short and ultra-bright X-ray ...

INT UNION CRYSTALLOGRAPHY2020

Atomistic origins of the limited phase stability of Cs+-rich FAxCs(1-x)PbI3 mixtures

Michael Graetzel, Ursula Röthlisberger, Simone Meloni, Dominik Józef Kubicki, David Lyndon Emsley, Ariadni Boziki, Aditya Mishra

Mixed cation perovskites, [HC(NH2)2]xCs(1-x)PbI3, (FAxCs(1-x)PbI3) with x=0.8 achieve high solar cell power conversion efficiencies (PCEs) while exhibiting long-term stability under ambient conditions. In this work, we perform density functional theory (DF ...

2020

Ultrafast Structural Dynamics along the beta - gamma Phase Transition Path in MnAs

Eugenio Ferrari

We investigate the orthorhombic distortion and the structural dynamics of epitaxial MnAs layers on GaAs(001) using static and time-resolved x-ray diffraction. Laser-induced intensity oscillations of Bragg reflections allow us to identify the optical phonon ...

AMER PHYSICAL SOC2019

In Situ Deformation Studies of HCP Metal Alloys with Neutron Diffraction, X-Ray Diffraction, and High Resolution Digital Image Correlation

Karl Alan Sofinowski

Mg and Ti alloys are attractive materials for structural applications in the transportation and biomedical industries due to their high strength-to-weight ratios. However, due to their hexagonally close-packed (HCP) lattice structure, they exhibit poor for ...

EPFL2019

Monitoring Spontaneous Charge-Density Fluctuations by Single-Molecule Diffraction of Quantum Light

Jérémy Raymond Jean Maurice Rouxel

Homodyne X-ray diffraction signals produced by classical light and classical detectors are given by the modulus square of the charge density in momentum space vertical bar sigma(q)vertical bar(2), missing its phase, which is required in order to invert the ...

2019

Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy

Benjamin André René Meyer

The coupling of the crystallographic refinement technique Hirshfeld atom refinement (HAR) with the recently constructed libraries of extremely localized molecular orbitals (ELMOs) gives rise to the new quantum-crystallographic method HAR-ELMO. This method ...

AMER CHEMICAL SOC2019

Laue three dimensional neutron diffraction

Stavros Samothrakitis, Markus Strobl

This article presents a measurement technique and data analysis tool to perform 3D grain distribution mapping and indexing of oligocrystalline samples using neutrons: Laue three-dimensional neutron diffraction (Laue3DND). The approach builds on forward mod ...

Nature Research2019

Structural disorder and magnetic correlations driven by oxygen doping in Nd2NiO4+delta (delta similar to 0.11)

We investigated the influence of oxygen overstoichiometry on apical oxygen disorder and magnetic correlations in Nd2NiO4+delta (delta similar to 0.11) in the temperature range of 2-300 K by means of synchrotron x-ray powder diffraction, neutron single-crys ...

AMER PHYSICAL SOC2019

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Arthur César Pinon, David Lyndon Emsley, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

Correlation between site occupancies and spin-glass transition in skyrmion host Co10-x/2Zn10-x/2Mnx

Henrik Moodysson Rønnow, Jonathan White

Ternary alloys Co-Zn-Mn with beta-Mn-type structure exhibit helimagnetic order and skyrmion lattice states in a low-Mn-concentration region. Recent studies on Co10-x/2Zn10-x/2Mnx (CZM) revealed that the magnetic modulation period and the paramagnetic-to-he ...

AMER PHYSICAL SOC2019

Local photo-mechanical stiffness revealed in gold nanoparticles supracrystals by ultrafast small-angle electron diffraction

Fabrizio Carbone, Francesco Stellacci, Giulia Fulvia Mancini, Javier Reguera Gomez, Francesco Pennacchio, Tatiana Latychevskaia

We demonstrate that highly ordered two-dimensional crystals of ligand-capped gold nanoparticles display a local photo-mechanical stiffness as high as that of solids such as graphite. In out-of-equilibrium electron diffraction experiments, a strong temperat ...

2019

Combining experiments and modeling to explore the solid solution strengthening of high and medium entropy alloys

William Curtin, Céline Varvenne

The mechanical properties due to solid solution strengthening are explored within the single phase face-centered cubic (fcc) domain of the Co-Cr-Fe-Mn Ni high entropy alloy (HEA) system. This is achieved by combining an efficient and reproducible metallurg ...

2019