89 citations · 272 across the 7 of their papers we have counts for
3 papers · 1 filter
Anharmonicity in Thermal Insulators: An Analysis from First Principles
Florian Knoop, Thomas A. R. Purcell, Matthias Scheffler +1
The anharmonicity of atomic motion limits the thermal conductivity in crystalline solids. However, a microscopic understanding of the mechanisms active in strong thermal insulators…
Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation
Florian Knoop, Matthias Scheffler, Christian Carbogno
Ab initio Green-Kubo (aiGK) simulations of heat transport in solids allow for assessing lattice thermal conductivity in anharmonic or complex materials from first principles. In th…
High-Pressure Synthesis of Seven Lanthanum Hydrides with a Significant Variability of Hydrogen Content
Dominique Laniel, Florian Trybel, Bjoern Winkler +12
The lanthanum-hydrogen system has attracted significant attention following the report of superconductivity in LaH10 at near-ambient temperatures and high pressures. Here, we prese…