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Titolo:
Optical properties of tetrahedral amorphous carbon nitride
Autore:
Valladares, AA; Valladares, RM; Valladares, A; McNelis, MA;
Indirizzi:
Natl Autonomous Univ Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico Natl Autonomous Univ Mexico Mexico City DF Mexico 04510 04510, DF, Mexico Natl Autonomous Univ Mexico, Fac Ciencias, Dept Fis, Mexico City 04510, DF, Mexico Natl Autonomous Univ Mexico Mexico City DF Mexico 04510 04510, DF, Mexico Univ Oxford, Dept Mat, Mat Modelling Lab, Oxford OX1 3PH, England Univ Oxford Oxford England OX1 3PH odelling Lab, Oxford OX1 3PH, England
Titolo Testata:
SYNTHETIC METALS
fascicolo: 1-3, volume: 103, anno: 1999,
pagine: 2572 - 2573
SICI:
0379-6779(199906)103:1-3<2572:OPOTAC>2.0.ZU;2-C
Fonte:
ISI
Lingua:
ENG
Soggetto:
ALLOYS;
Keywords:
amorphous semiconductors; clusters; tetrahedral carbon; ab initio density functional calculations;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
11
Recensione:
Indirizzi per estratti:
Indirizzo: Valladares, AA Natl Autonomous Univ Mexico, Inst Invest Mat, Ciudad Univ, Mexico City 04510, DF, Mexico Natl Autonomous Univ Mexico Ciudad Univ Mexico City DF Mexico 04510
Citazione:
A.A. Valladares et al., "Optical properties of tetrahedral amorphous carbon nitride", SYNTH METAL, 103(1-3), 1999, pp. 2572-2573

Abstract

we calculated the optical properties of three amorphous tetrahedral carbon-based clusters of the type a - C21-iNiH28 with 6-atom boat-type rings. The28 hydrogens passivate the outermost dangling bonds and i is 0, 1 or 4. The theoretical DFT-LDA based method used minimizes the energy of the clusters and provides the energy spectrum and the optical transitions for the minimum energy structures. The optical absorption spectrum is analyzed for eachcluster and is consistent with previous results obtained by the authors for the behaviour of the energy gap.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 24/11/20 alle ore 08:34:51