Publications
View All<i>Ab initio</i>up to the melting point: Anharmonicity and vacancies in aluminum
We propose a fully ab initio based integrated approach to determine the volume and temperature dependent free-energy surface of nonmagnetic crystalline solids up to the melting ...
Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron
A density-functional theory (DFT) based scheme to calculate effective forces for magnetic materials at finite temperatures is proposed. The approach is based on a coarse grainin...
Temperature Dependent Magnon-Phonon Coupling in bcc Fe from Theory and Experiment
An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results f...
Affiliated Researchers
Institution Info
- Type
- facility
- Country
- DE
- Publications
- 4
- Citations
- 4,678
External Links
Identifiers
- ROR
- https://ror.org/01ngpvg12