ePrints@IIScePrints@IISc Home | About | Browse | Latest Additions | Advanced Search | Contact | Help

Study of Structural Stability and Electronic Structure of Nonstoichiometric CdS Nano Clusters from First Principles

Datta, Soumendu and Kabir, Mukul and Saha-Dasgupta, Tanusri and Sarma, DD (2009) Study of Structural Stability and Electronic Structure of Nonstoichiometric CdS Nano Clusters from First Principles. In: International Conference on Nanoscience and Technology, FEB 27-29, 2008, Chennai, India, pp. 5489-5492.

Full text not available from this repository.
Official URL: http://iisc.library.ingentaconnect.com/content/asp...

Abstract

Structural stability of small sized nonstoichiometric CdS nano clusters between zincblende and wurtzite structures has been investigated using first-principles density functional calculations. Our study shows that the relative stability of these two structures depends sensitively on whether the surface is S-terminated or Cd-terminated. The associated band gap also exhibits non-monotonic behavior as a function of cluster size. Our findings may shed light on contradictory reports of experimentally observed structures of CdS nano clusters found in the literature.

Item Type: Conference Paper
Additional Information: Copyright of this article belongs to American Scientific Publishers.
Keywords: Nonstoichiometry;Stability.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 21 Dec 2009 06:34
Last Modified: 21 Dec 2009 06:34
URI: http://eprints.iisc.ernet.in/id/eprint/23267

Actions (login required)

View Item View Item