First-principle investigation of displacive response in complex solids

Autor: Klüppelberg, Daniel Aaron

Publikováno v: Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich. Reihe Schlüsseltechnologien / Key Technologies 119, XI, 177 S. (2016). = RWTH Aachen, Diss., 2015
Jülich : Forschungszentrum Jülich GmbH, Schriften des Forschungszentrums Jülich. Reihe Schlüsseltechnologien 119, xi, 179 Seiten : Illustrationen, Diagramme (2016). = Dissertation, RWTH Aachen, 2015

In this work, we discuss two approaches to calculate phonon spectra of crystals within the all-electron full-potential linearized augmented-plane-wave (FLAPW) method. This method is one of the most precise implementations of Kohn-Sham (KS) density fu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c0c204340c8042244fb007a2a6c0e644
https://hdl.handle.net/2128/10020