The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations

Márton Vörös, Ṕter Deák, Thomas Frauenheim, A. Gali

Research output: Contribution to journalArticle

33 Citations (Scopus)

Abstract

The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiC NCs) have been determined by first principles calculations. We show that the reconstructed surface can significantly change not just the onset of absorption but the shape of the spectrum at higher energies. We compare our results with two recent experiments on ultrasmall SiC NCs.

Original languageEnglish
Article number051909
JournalApplied Physics Letters
Volume96
Issue number5
DOIs
Publication statusPublished - 2010

Fingerprint

silicon carbides
nanocrystals
absorption spectra
electronic structure
energy

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations. / Vörös, Márton; Deák, Ṕter; Frauenheim, Thomas; Gali, A.

In: Applied Physics Letters, Vol. 96, No. 5, 051909, 2010.

Research output: Contribution to journalArticle

@article{a9540f3b5c364079b9ebfb1f261b6389,
title = "The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations",
abstract = "The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiC NCs) have been determined by first principles calculations. We show that the reconstructed surface can significantly change not just the onset of absorption but the shape of the spectrum at higher energies. We compare our results with two recent experiments on ultrasmall SiC NCs.",
author = "M{\'a}rton V{\"o}r{\"o}s and Ṕter De{\'a}k and Thomas Frauenheim and A. Gali",
year = "2010",
doi = "10.1063/1.3308495",
language = "English",
volume = "96",
journal = "Applied Physics Letters",
issn = "0003-6951",
publisher = "American Institute of Physics Publising LLC",
number = "5",

}

TY - JOUR

T1 - The absorption spectrum of hydrogenated silicon carbide nanocrystals from ab initio calculations

AU - Vörös, Márton

AU - Deák, Ṕter

AU - Frauenheim, Thomas

AU - Gali, A.

PY - 2010

Y1 - 2010

N2 - The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiC NCs) have been determined by first principles calculations. We show that the reconstructed surface can significantly change not just the onset of absorption but the shape of the spectrum at higher energies. We compare our results with two recent experiments on ultrasmall SiC NCs.

AB - The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiC NCs) have been determined by first principles calculations. We show that the reconstructed surface can significantly change not just the onset of absorption but the shape of the spectrum at higher energies. We compare our results with two recent experiments on ultrasmall SiC NCs.

UR - http://www.scopus.com/inward/record.url?scp=76449120992&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=76449120992&partnerID=8YFLogxK

U2 - 10.1063/1.3308495

DO - 10.1063/1.3308495

M3 - Article

AN - SCOPUS:76449120992

VL - 96

JO - Applied Physics Letters

JF - Applied Physics Letters

SN - 0003-6951

IS - 5

M1 - 051909

ER -