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master's thesis
Neadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu
Zagreb: University of Zagreb, Faculty of Science, 2020. urn:nbn:hr:217:806183
Girotto, Nina
University of Zagreb
Faculty of Science
Department of Physics

Institutional repository: Repository of the Faculty of Science

Cite this document

Girotto, N. (2020). Neadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu (Master's thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:806183

Girotto, Nina. "Neadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu." Master's thesis, University of Zagreb, Faculty of Science, 2020. https://urn.nsk.hr/urn:nbn:hr:217:806183

Girotto, Nina. "Neadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu." Master's thesis, University of Zagreb, Faculty of Science, 2020. https://urn.nsk.hr/urn:nbn:hr:217:806183

Girotto, N. (2020). 'Neadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu', Master's thesis, University of Zagreb, Faculty of Science, accessed 23 December 2024, https://urn.nsk.hr/urn:nbn:hr:217:806183

Girotto N. Neadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu [Master's thesis]. Zagreb: University of Zagreb, Faculty of Science; 2020 [cited 2024 December 23] Available at: https://urn.nsk.hr/urn:nbn:hr:217:806183

N. Girotto, "Neadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu", Master's thesis, University of Zagreb, Faculty of Science, Zagreb, 2020. Available at: https://urn.nsk.hr/urn:nbn:hr:217:806183

Metadata
TitleNeadijabatska renormalizacija optičkih fonona u visoko dopiranom grafenu
Title (english)Non-adiabatic phonons in highly-doped graphene
AuthorNina Girotto
MentorDino Novko (mentor)
MentorHrvoje Buljan (komentor)
Committee memberHrvoje Buljan (predsjednik povjerenstva)
Committee memberDino Novko (član povjerenstva)
Committee memberMario Novak (član povjerenstva)
Committee memberIvan Kupčić (član povjerenstva)
Committee memberŽeljko Skoko (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Science
(Department of Physics)
Zagreb
Defense date and country2020-07-09, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Physics
Abstract
U ovom radu, ispituje se valjanost upotrebe adijabatske Born-Oppenheimer aproksimacije kod opisa interakcije elektrona i jezgara u visoko dopiranom grafenu. Usporedbom rezultata modela čvrste veze i teorije funkcionala gustoće (DFT) za disperziju fonona dopiranog grafena, pokazuje se da adijabatski tretman fonona dovodi do velike renormalizacije E_2g fononskog moda u Γ točki, što nije ispravan rezultat. Kako bi se dobio ispravan vibracijski spektar, potrebno je uključiti dinamičke (neadijabatske) efekte elektron-fonon interakcije. Oni izazivaju velike promjene u dugovalnom dijelu vibracijskog spektra. Neadijabatska korekcija dobivena je kroz vlastitu energiju fonona, a efekt je dokazan i u DFT-u izračunom elektron-fonon interakcije. Metoda je zatim primijenjena na dopirani grafan. Dinamički efekti u dopiranom grafanu izraženiji su nego u dopiranom grafenu.
Abstract (english)
In this seminar the validity of an adiabatic Born-Oppenheimer approximation in the description of electron-phonon interactions in highly doped graphene is examined. Comparing the tight - binding approximation model results and the ones obtained within density functional theory (DFT), it is shown that an adiabatic treatment of phonons leads to a huge renormalization of the E_2g phonon mode in the Brillouin zone center, which is an incorrect result. In order to obtain a correct vibration spectrum, dynamical (nonadiabatic) effects of an electron-phonon interaction should be taken into account. They produce non-negligible changes in the long-wave part of the spectrum. Nonadiabatic correction is obtained through phonon self-energy calculation, while its effect is proved also within a DFT calculation of electron-phonon interaction parameters. This method is then applied to doped graphane. Dynamical effects in doped graphane are more pronounced than in doped graphene.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:217:806183
Study programmeTitle: Physics; specializations in: Research
Course: Research
Study programme type: university
Study level: integrated undergraduate and graduate
Academic / professional title: magistar/magistra fizike (magistar/magistra fizike)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2020-08-21 12:05:16