Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/1424
Title: Atomic and electronic structure of crystalline–amorphous carbon interfaces
Authors: Kopidakis, Georgios 
Remediakis, Ioannis N. 
Fyta, Maria G. 
Kelires, Pantelis C. 
metadata.dc.contributor.other: Κελίρης, Παντελής
Major Field of Science: Engineering and Technology
Keywords: Diamond;Amorphous carbon;Interface;Nanocrystals
Issue Date: Oct-2007
Source: Diamond and Related Materials, 2007, vol. 16, no. 10, pp. 1875-1881
Volume: 16
Issue: 10
Start page: 1875
End page: 1881
Journal: Diamond and Related Materials 
Abstract: Interfaces of diamond with amorphous carbon (a-C) are investigated using tight-binding molecular dynamics simulations. Such interfaces are found to be stable, with a-C atoms covalently bonded to the diamond surfaces. The atomic and electronic structure of the a-C region is consistent with previous results on pure a-C and does not depend critically on the diamond face exposed. However, surface properties influence the relative stability of interfaces with high density a-C. In this case, the interfacial region is small and very dense homogeneous a-C grows on diamond. At lower densities, carbon atoms nucleate on diamond surfaces and create an intermediate region between diamond and a-C. The shape of diamond crystals embedded in a-C is predicted using the Wulff construction with appropriately defined energies for surfaces with overlayer material. These predictions are verified by empirical potential simulations of nanodiamond inclusions in a-C matrix. The electronic density of states and the dielectric function, calculated for our samples containing a-C/diamond interfaces, show that optoelectronic properties of these composite materials are dominated by a-C.
URI: https://hdl.handle.net/20.500.14279/1424
ISSN: 09259635
DOI: 10.1016/j.diamond.2007.07.013
Rights: © Elsevier
Type: Article
Affiliation : University of Crete 
Publication Type: Peer Reviewed
Appears in Collections:Άρθρα/Articles

CORE Recommender
Sorry the service is unavailable at the moment. Please try again later.
Show full item record

SCOPUSTM   
Citations

19
checked on Nov 9, 2023

WEB OF SCIENCETM
Citations 50

18
Last Week
0
Last month
0
checked on Oct 13, 2023

Page view(s) 20

502
Last Week
0
Last month
3
checked on Feb 12, 2025

Google ScholarTM

Check

Altmetric


This item is licensed under a Creative Commons License Creative Commons