3 citations · 3 across the 1 of their papers we have counts for
4 papers
Ab initio vibrational free energies including anharmonicity for multicomponent alloys
Blazej Grabowski, Yuji Ikeda, Fritz Körmann +4
A density-functional-theory based approach to efficiently compute numerically exact vibrational free energies - including anharmonicity - for chemically complex multicomponent allo…
Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials
Tatiana Kostiuchenko, Fritz Körmann, Jörg Neugebauer +1
Recently, high-entropy alloys (HEAs) have attracted wide attention due to their extraordinary materials properties. A main challenge in identifying new HEAs is the lack of efficien…
Anomalous phonon lifetime shortening in paramagnetic CrN caused by magneto-lattice coupling: A combined spin and ab initio molecular dynamics study
Irina Stockem, Anders Bergman, Albert Glensk +5
We study the mutual coupling of spin fluctuations and lattice vibrations in paramagnetic CrN by combining atomistic spin dynamics and ab initio molecular dynamics. The two degrees…
A new type of temperature driven reorientation transition in magnetic thin films
F. Koermann, S. Schwieger, J. Kienert +1
We present a new type of temperature driven spin reorientation transition (SRT) in thin films. It can occur when the lattice and the shape anisotropy favor different easy direction…