Please use this identifier to cite or link to this item: http://ktisis.cut.ac.cy/handle/10488/1220
Title: Interfacial disorder and optoelectronic properties of diamond nanocrystals
Authors: Vantarakis, George 
Kopidakis, Georgios 
Wang, Caizhuang 
Ho, Kaiming 
Kelires, Pantelis C. 
Mathioudakis, Christos 
Issue Date: 2009
Publisher: The American Physical Society
Source: Physical review. Volume 80, issue 4
Abstract: We present in this work a theoretical framework based on the tight-binding method, which is able to probe at a local atomic level the optoelectronic response of nanomaterial systems and link it to the associated disorder. We apply this methodology to carbon nanocomposites containing diamond nanocrystals. We find that significant structural and topological disorder exists at the interface between the nanodiamonds and the embedding amorphous carbon matrix. This can be quantitatively probed by extracting the Urbach energies from the optical parameters. Disorder in the nanocrystals appears in their outer shell near the interface and is manifested as bond length and angle distortions. Energetics and stability analysis show that nanodiamonds embedded in matrices with high density and high fraction of fourfold coordinated atoms are more stable.
URI: http://ktisis.cut.ac.cy/handle/10488/1220
DOI: 10.1103/PhysRevB.80.045307
Rights: © 2009 The American Physical Society
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