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Publications associées (32)

Static and dynamic properties of non-collinear quantum antiferromagnets explored by neutron scattering

Luc Testa

This thesis is devoted to the investigation of static and dynamic properties of two different sets of quantum magnets with neutron scattering techniques and the help of linear spin wave theory. Both systems are copper-based with spin-1/2, which makes them ...

EPFL2021

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

FB-ECDA: Fragment-based Electronic Coupling Decomposition Analysis for Organic Amorphous Semiconductors

Anne-Clémence Corminboeuf, Kun-Han Lin

We present a fragment-based decomposition analysis tool (FB-ECDA) for the electronic coupling of charge transfer processes. This tool provides insight on the sophisticated relationship between molecular packing, electronic coupling, and the molecular trans ...

AMER CHEMICAL SOC2020

Nature of native atomic defects in ZrTe5 and their impact on the low-energy electronic structure

Oleg Yazyev, Helmuth Berger, Shengnan Zhang, Ana Akrap

Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe5 have reached a wide array of conclusions. An open question is the growth method's impact on the stoichiometry of ZrTe5 samples, especially given the very small ...

AMER PHYSICAL SOC2020

Magnetic structures and quadratic magnetoelectric effect in LiNiPO4 beyond 30 T

Ellen Fogh

Neutron diffraction with static and pulsed magnetic fields is used to directly probe the magnetic structures in LiNiPO4 up to 25 T and 42 T, respectively. By combining these results with magnetometry and electric polarization measurements under pulsed fiel ...

AMER PHYSICAL SOC2020

Multipole interplay controls optical forces and ultra-directional scattering

Olivier Martin, Karim Achouri, Andrei Kiselev

We analyze the superposition of Cartesian multipoles to reveal the mechanisms underlying the origin of optical forces. We show that a multipolar decomposition approach significantly simplifies the analysis of this problem and leads to a very intuitive expl ...

2020

Effects of composition and pressure on electronic states of iron in bridgmanite

Arnaud Magrez, Philippe Gillet, Susannah McGregor Dorfman

Electronic states of iron in the lower mantle's dominant mineral, (Mg,Fe,Al)(Fe,Al,Si)O-3 bridgmanite, control physical properties of the mantle including density, elasticity, and electrical and thermal conductivity. However, the determination of electroni ...

MINERALOGICAL SOC AMER2020

Modelling long-range interactions in multiscale simulations of ferromagnetic materials

Doghonay Arjmand

Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic approach handles th ...

SPRINGER2020

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate

David Lyndon Emsley, Karen Scrivener, Paul Bowen, Pierrick Berruyer, Brennan James Walder, Pinelopi Moutzouri, Aslam Kunhi Mohamed, Jirawan Siramanont, Maya Nicole Harris, Mattia Negroni

Despite use of blended cements containing significant amounts of aluminum for over 30 years, the structural nature of aluminum in the main hydration product, calcium aluminate silicate hydrate (C-A-S-H), remains elusive. Using first-principles calculations ...

2020

Advanced Computational Methods for NMR Crystallography

Albert Hofstetter

Knowledge of the atomic-level structure is key to understanding and predicting properties of materials. X-ray diffraction (XRD) is the methods of choice for structures containing well-defined long-range order. However, many materials contain various degree ...

EPFL2019

Shape staggering of midshell mercury isotopes from in-source laser spectroscopy compared with density-functional-theory and Monte Carlo shell-model calculations

Adriano Pastore

Neutron-deficient Hg177-185 isotopes were studied using in-source laser resonance-ionization spectroscopy at the CERN-ISOLDE radioactive ion-beam facility in an experiment combining different detection methods tailored to the studied isotopes. These includ ...

2019

Quantum state manipulation of single atom magnets using the hyperfine interaction

Harald Brune, François Patthey, Donat Fabian Natterer, Edgar Fernandes, Patrick Robert Forrester, Dante Philippe Sblendorio

The magnetic quantum states of holmium single atom magnets on MgO(100) have proven extremely robust when exposed to high magnetic fields and temperatures up to 35 K. Here we address the stability of Ho at small magnetic fields, where the hyperfine interact ...

2019

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