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Open Access Nano Express

Crystal and electronic structure of PbTe/CdTe nanostructures

Małgorzata Bukała1*, Piotr Sankowski2, Ryszard Buczko1 and Perła Kacman1

Author Affiliations

1 Institute of Physics PAS, Al. Lotnikow 32/46, 02-668 Warsaw, Poland

2 Institute of Informatics, University of Warsaw, St. Banacha 2, 02-097 Warsaw, Poland

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Nanoscale Research Letters 2011, 6:126  doi:10.1186/1556-276X-6-126

Published: 10 February 2011

Abstract

In this article, the authors reported a theoretical study of structural and electronic properties of PbTe inclusions in CdTe matrix as well as CdTe nano-clusters in PbTe matrix. The structural properties are studied by ab initio methods. A tight-binding model is constructed to calculate the electron density of states (DOS) of the systems. In contrast to the ab initio methods, the latter allows studying nanostructures with diameters comparable to the real ones. The calculations show that both kinds of inclusions lead to changes of the DOS of the carriers near the Fermi level, which may affect optical, electrical and thermoelectric properties of the material. These changes depend on the size, shape, and concentration of inclusions.