Band-Gap Engineering Of Sno2

Keywords

Band-gap engineering; DFT; Multilayer; Semiconductors; SnO 2

Abstract

Using first principles calculations based on density functional theory (DFT), the electronic properties of SnO2 bulk and thin films are studied. The electronic band structures and total energy over a range of SnO2-multilayer have been studied using DFT within the local density approximation (LDA). We show that changing the interatomic distances and relative positions of atoms could modify the band-gap energy of SnO2 semiconductors. Electronic-structure calculations show that band-gap engineering is a powerful technique for the design of new promising candidates with a direct band-gap. Our results present an important advancement toward controlling the band structure and optoelectronic properties of few-layer SnO2 via strain engineering, with important implications for practical device applications.

Publication Date

4-1-2016

Publication Title

Solar Energy Materials and Solar Cells

Volume

148

Number of Pages

34-38

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1016/j.solmat.2015.09.062

Socpus ID

84958870587 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/84958870587

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