Influence of static correlation on the magnon dynamics of an itinerant ferromagnet with competing exchange interactions: First-principles study of MnBi
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
Challenging ground and excited state problems in the chemistry of common organic chromophores are investigated with state-of-the-art quantum chemical methods. We present a comprehensive excited state molecular dynamics analysis of (a) fundamental building ...
Revealing the emergence and the dynamics of collective excitations in complex matter is a subject of pivotal importance, as it provides insight into the strength and spatial distribution of interactions and correlations. At the same time, collectivity lies ...
Optical properties of the PbTiO3 thin films fabricated by chemical solution deposition have been measured with variable angle spectroscopic ellipsometry in the spectral range of 1-6 eV and in the temperature interval from room temperature to 950 K. The opt ...
The amorphous structure of the phase change material Ge2Sb2Te5 (GST) has been the object of controversial structural models. By employing first-principles molecular dynamics within density functional theory, we are able to obtain quantitative agreement wit ...
We carry out a first-principles atomistic study of the electronic mechanisms of ligand binding and discrimination in the myoglobin protein. Electronic correlation effects are taken into account using one of the most advanced methods currently available, na ...
This work examines the flow boiling of R134a in 0.54-mm square parallel minichannels with a particular focus on analyzing the transient pressure drop of individual channels in a wide range of heat andmass flux conditions. The flow rates are in the range fr ...
We report Time-Domain ThermoReflectance experiments measuring the Thermal Boundary Conductance (TBC) of interfaces between diamond and metal surfaces, based on samples consisting of [111] diamond substrates with hydrogen or with sp2 carbon surface terminat ...
In this thesis, quantum chemical methods have been applied to elucidate the thermodynamics and the kinetics of reactions involving reactive species in water. Due to their high reactivity in water, many transient species are difficult to study by experiment ...
Being able to estimate the partitioning behavior of the live oil mixture between a gas and a hydrocarbon liquid phase is crucial for valid modeling of the behavior of the emitted fluid. Equations of state are a well-known way to estimate the phase partitio ...
Aluminium uptake in calcium silicate hydrate (C-S-H) was studied at different Ca/Si ratios from 0.6 to 1.6 at 20 degrees C. Aluminium incorporation in C-S-H depends on the total amount of aluminium present in the sample. At low Al/Si ratio (