Band alignment at the CdS/FeS2 interface based on the first-principles calculation. (5th February 2015)

• Record Type: Journal Article
• Authors: Ichimura, Masaya; Kawai, Shoichi
• Is Part Of: Japanese journal of applied physics. Volume 54:Number 3(2015:Mar.)
• Publication Date: 2015-02-05
• Subjects: Physics -- Periodicals; 621.05
• DOI: 10.7567/JJAP.54.038002
• Languages: English
• ISSNs: 0021-4922

Abstract

Abstract: FeS2 is potentially well-suited for the absorber layer of a thin-film solar cell. Since it usually has p-type conductivity, a pn heterojunction cell can be fabricated by combining it with an n-type material. In this work, the band alignment in the heterostructure based on FeS2 is investigated on the basis of the first-principles calculation. CdS, the most popular buffer-layer material for thin-film solar cells, is selected as the partner in the heterostructure. The results indicate that there is a large conduction band offset (0.65 eV) at the interface, which will hinder the flow of photogenerated electrons from FeS2 to CdS. Thus an n-type material with the conduction band minimum positioned lower than that of CdS will be preferable as the partner in the heterostructure.