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Alfonsi, Jessica (2008) Small crystal models for the electronic properties of carbon nanotubes. [Tesi di dottorato]

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Abstract (english)

This thesis develops the basic theoretical aspects of the electronic properties of carbon nanotubes which are necessary for a detailed understanding of optical characterization measurements by photoluminescence and Raman spectroscopy. Starting from a wisely chosen finite portion of the real lattice with proper boundary conditions, the small crystal approach allows to find the minimal set of Brillouin zone points, which are sufficient for computing the essential features of the optical spectra of periodic systems, such as single-walled nanotubes. The real space vision embedded in small crystal approach allows to overcome some limitations inherent to reciprocal space based methods,when dealing with local symmetry breaking effects in the electronic structure of carbon nanotubes, such as electron-electron interactions, point-defects and orientationdependent intertube interactions, the last one in the particular case of double-walled nanotubes. The thesis shows the application of small crystal approach to these issues
and discuss the obtained results with respect to the currently available experimental and theoretical findings.

Abstract (italian)

Questa tesi sviluppa gli aspetti teorici basilari delle proprietà elettroniche dei nanotubi di carbonio che sono necessari per una comprensione dettagliata delle misure di caratterizzazione
ottica tramite fotoluminescenza e spettroscopia Raman. Partendo da una porzione finita del reticolo reale opportunamente scelta con condizioni periodiche al contorno appropriate, l’approccio del cristallo piccolo consente di trovare l’insieme più piccolo di punti della zona di Brillouin che sono sufficienti per calcolare il profilo essenziale degli spettri ottici di sistemi periodici, come i nanotubi a parete singola. La visione in spazio reale presente nell’approccio del cristallo piccolo consente di superare le limitazioni inerenti ai metodi in spazio reciproco, quando si debbano considerare effetti di rottura locale di simmetria nella struttura elettronica dei nanotubi di carbonio, come interazioni elettrone-elettrone, difetti puntuali e interazioni intertubo dipendenti dall’orientazione dei tubi costituenti, quest’ultimo
nel caso particolare dei nanotubi a parete doppia. La tesi mostra l’applicazione dell’approccio del cristallo piccolo a questi problemi e i risultati ottenuti vengono discussi in relazione alle attuali conoscenze sperimentali e teoriche.

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Tipo di EPrint:Tesi di dottorato
Relatore:Meneghetti, Moreno
Dottorato (corsi e scuole):Ciclo 21 > Scuole per il 21simo ciclo > SCIENZA E INGEGNERIA DEI MATERIALI
Data di deposito della tesi:21 January 2009
Anno di Pubblicazione:31 December 2008
Parole chiave:carbon nanotubes electronic properties small crystal exact diagonalization Hubbard model exciton
Settori scientifico-disciplinari MIUR:Area 02 - Scienze fisiche > FIS/03 Fisica della materia
Area 02 - Scienze fisiche > FIS/01 Fisica sperimentale
Area 03 - Scienze chimiche > CHIM/02 Chimica fisica
Area 02 - Scienze fisiche > FIS/02 Fisica teorica, modelli e metodi matematici
Struttura di riferimento:Dipartimenti > Dipartimento di Scienze Chimiche
Codice ID:1353
Depositato il:21 Jan 2009
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