Dresden 2020 – wissenschaftliches Programm

Die DPG-Frühjahrstagung in Dresden musste abgesagt werden! Lesen Sie mehr ...

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

HL: Fachverband Halbleiterphysik

HL 11: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions I (joint session O/CPP/DS/HL)

HL 11.2: Vortrag

Montag, 16. März 2020, 11:00–11:15, GER 38

A generalized first-principles formalism for the electron-phonon renormalization of electronic energy eigenvalues — •Jae-Mo Lihm1,2,3 and Cheol-Hwan Park1,2,31Department of Physics and Astronomy, Seoul National University, Seoul 08826, Korea — 2Center for Correlated Electron Systems, Institute for Basic Science, Seoul 08826, Korea — 3Center for Theoretical Physics, Seoul National University, Seoul 08826, Korea

The interaction between electrons and phonons induce a temperature-dependent renormalization of electronic energy eigenvalues [1]. The perturbative theory of Allen, Heine, and Cardona (AHC) [2] enables an efficient first-principles calculation of the renormalized electronic eigenenergies. The temperature dependence of the electronic bandgap, optical responses, and topological properties of real materials have been investigated within the AHC formalism. In this study, we generalize the AHC formalism [3] so that it could be applied to a broader class of materials. We demonstrate our formalism by calculating the temperature-dependent electronic energy eigenvalues of representative materials.

[1] F. Giustino, Rev. Mod. Phys. 89, 015003 (2017)

[2] P. B. Allen and V. Heine, J. Phys. C 9, 2305 (1976); P. B. Allen and M. Cardona, Phys. Rev. B 24, 7479 (1981); 27, 4760 (1983).

[3] J.-M. Lihm and C.-H. Park, unpublished.

100% | Mobil-Ansicht | English Version | Kontakt/Impressum/Datenschutz
DPG-Physik > DPG-Verhandlungen > 2020 > Dresden