44 citations · 122 across the 7 of their papers we have counts for
12 papers
How do defects limit the ultrahigh thermal conductivity of BAs? A first principles study
Mauro Fava, Nakib Haider Protik, Chunhua Li +6
The promise enabled by BAs high thermal conductivity in power electronics cannot be assessed without taking into account the reduction incurred when doping the material. Using firs…
Quantum Self-Consistent Ab-Initio Lattice Dynamics
Ambroise van Roekeghem, Jesús Carrete, Natalio Mingo
The Quantum Self-Consistent Ab-Initio Lattice Dynamics package (QSCAILD) is a python library that computes temperature-dependent effective 2nd and 3rd order interatomic force const…
Anharmonic Thermodynamics of Vacancies Using a Neural Network Potential
Anton S. Bochkarev, Ambroise van Roekeghem, Stefano Mossa +1
Lattice anharmonicity is thought to strongly affect vacancy concentrations in metals at high temperatures. It is however non-trivial to account for this effect directly using densi…
Magnetic Order and Lattice Instabilities in NiMnSn Heusler based Magnetic Shape-Memory Alloys
Vijay Singh, Ambroise van Roekeghem, S. K. Panda +3
The magnetic correlations in the austenite phase and the consequent martensitic transition in inverse magnetocaloric alloys, NiMnSn, have been a matter of deb…
Thermal resistance of GaN/AlN graded interfaces
Ambroise van Roekeghem, Bjorn Vermeersch, Jesús Carrete +1
Compositionally graded interfaces in power electronic devices eliminate dislocations, but they can also decrease thermal conduction, leading to overheating. We quantify the thermal…
Van Hove singularities, chemical pressure and phonons: an angle-resolved photoemission study of KFeAs and CsFeAs
P. Richard, A. van Roekeghem, X. Shi +6
We report an angle-resolved photoemission spectroscopy (ARPES) study of KFeAs and CsFeAs, revealing the existence of a van Hove singularity affecting the electronic…