Pregled bibliografske jedinice broj: 512145
Using theoretical spectroscopy to assess the measured electronic structure of doped SWCNTs
Using theoretical spectroscopy to assess the measured electronic structure of doped SWCNTs // 25th International Winterschool on Electronic Properties of Novel Materials "Molecular nanostructures" - abstract book / Thomsen, Christian (ur.).
Berlin: Institut fur Festkörperphysik, Technische Universit¨at Berlin, 2011. str. 142-142 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni)
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Naslov
Using theoretical spectroscopy to assess the measured
electronic structure of doped SWCNTs
Autori
Mowbray, Duncan J. ; Ayala, Paola ; Rubio, Angel ; Pichler Thomas
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
25th International Winterschool on Electronic Properties of Novel Materials "Molecular nanostructures" - abstract book
/ Thomsen, Christian - Berlin : Institut fur Festkörperphysik, Technische Universit¨at Berlin, 2011, 142-142
Skup
25th International Winterschool on Electronic Properties of Novel Materials "Molecular nanostructures"
Mjesto i datum
Kirchberg in Tirol, Austrija, 27.02.2011. - 04.03.2011
Vrsta sudjelovanja
Poster
Vrsta recenzije
Podatak o recenziji nije dostupan
Ključne riječi
graphene ; EELS ; TDDFT-RPA ; nanoplasmonics
Sažetak
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using graphene. As such, theoretical spectroscopic techniques to describe both direct optical excitations and collective excitations of graphene are of fundamental importance. Starting from density functional theory (DFT) we use the time dependent linear response within the random phase approximation (TDDFT-RPA) to describe the loss function -Im\epsilon(q, \omega) for graphene. To ensure any spurious interactions between layers are neglected, we employ both a radial cutoff of the Coulomb kernel, and extra vacuum directly at the TDDFT-RPA level.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
