30 citations · 69 across the 8 of their papers we have counts for
4 papers · 1 filter
Phonon fluctuation diagnostics: Origin of charge order in AVSb kagome metals
Stefan Enzner, Jan Berges, Arne Schobert +7
The microsopic origin of the charge-density wave (CDW) in AVSb (A = K, Rb, Cs) kagome metals remains a longstanding question, often revolving around electron-phonon couplin…
Ab initio electron-lattice downfolding: potential energy landscapes, anharmonicity, and molecular dynamics in charge density wave materials
Arne Schobert, Jan Berges, Erik G. C. P. van Loon +4
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for…
Downfolding the Su-Schrieffer-Heeger model
Arne Schobert, Jan Berges, Tim Wehling +1
Charge-density waves are responsible for symmetry-breaking displacements of atoms and concomitant changes in the electronic structure. Linear response theories, in particular densi…
Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides
Jan Berges, Erik G. C. P. van Loon, Arne Schobert +2
We present an ab initio approach for the calculation of phonon self-energies and their fluctuation diagnostics, which allows us to identify the electronic processes behind phonon a…