Publication

Phonon Lifetimes Throughout the Brillouin Zone at Elevated Temperatures from Experiment and ab initio

Publications associées (32)

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search

Extending the Scope of the Density Overlap Region Indicator

Laurent Alexis Clément Vannay

In this thesis, original applications of the Density Overlap Region Indicator (DORI), a density dependent bonding descriptor capable of simultaneously capturing covalent and noncovalent interactions, are discussed. The use of scalar fields, such as DORI, w ...

EPFL2018

The unique structure and dynamics of the water hydrogen (H)-bond network enable a multitude of structures and chemical reactions in both bulk solutions and at interfaces. The underlying molecular interactions between water and dissolved electrolytes, organ ...

EPFL2017

X‑ray and Neutron Scattering of Water

Livia Eleonora Bove Kado

This review article focuses on the most recent advances in X-ray and neutron scattering studies of water structure, from ambient temperature to the deeply supercooled and amorphous states, and of water diffusive and collective dynamics, in disparate thermo ...

American Chemical Society2016

Anomalous thermal decoherence in a quantum magnet measured with neutron spin echo spectroscopy

Thomas Keller, Felix Groitl

The effect of temperature dependent asymmetric line broadening is investigated in Cu(NO3)(2)center dot 2.5D(2)O, a model material for a one-dimensional bond alternating Heisenberg chain, using the high resolution neutron-resonance spin echo (NRSE) techniqu ...

Amer Physical Soc2016

, , ,

Sr2CuTeO6 presents an opportunity for exploring low-dimensional magnetism on a square lattice of S = 1/2 Cu2+ ions. We employ ab initio multireference configuration interaction calculations to unravel the Cu2+ electronic structure and to evaluate exchange ...

2016

Spin excitations in the skyrmion host Cu2OSeO3

Henrik Moodysson Rønnow, Arnaud Magrez, Ivica Zivkovic, Jonathan White, Peter Babkevich, Ping Huang, Felix Groitl, Gregory Scott Tucker

We have used inelastic neutron scattering to measure the magnetic excitation spectrum along the high-symmetry directions of the first Brillouin zone of the magnetic skyrmion hosting compound Cu2OSeO3. The majority of our scattering data are consistent with ...

Amer Physical Soc2016

Influences of Dilute Organic Adsorbates on the Hydration of Low-Surface-Area Silicates

David Lyndon Emsley, Aaron James Rossini, Bradley Floyd Chmelka, David Benjamin Roger Antoine Gajan

Competitive adsorption of dilute quantities of certain organic molecules and water at silicate surfaces strongly influence the rates of silicate dissolution, hydration, and crystallization. Here, we determine the molecular-level structures, compositions, a ...

American Chemical Society2015

Abstract This work unit proposes to construct a cold indirect geometry time of flight spectrometer for performing inelastic neutron scattering experiments optimized for optimal efficiency in the horizontal scattering plane at the European Spallation Source ...

2014

Hydrogen adsorption in the metal-organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)

Wendy Lee Queen

The hydrogen storage properties of Fe2(dobdc) (dobdc4- = 2,5-dioxido-1,4-benzenedicarboxylate) and an oxidized analog, Fe2(O2)(dobdc), have been examd. using several complementary techniques, including low-pressure gas adsorption, neutron powder diffractio ...

2012

Rods of Neutron Scattering Intensity in Yb2Ti2O7: Compelling Evidence for Significant Anisotropic Exchange in a Magnetic Pyrochlore Oxide

Henrik Moodysson Rønnow

Paramagnetic correlations in the magnetic material Yb2Ti2O7 have been investigated via neutron scattering, revealing a [111] rod of scattering intensity. Assuming interactions between the Yb3+ ions composed of all symmetry-allowed nearest neighbor exchange ...

American Physical Society2011