JSAP Review
Online ISSN : 2437-0061
Tutorial Review
Materials science of chalcopyrite-type and multinary solar cells compounds: crystal structure and electronic structure of CISe, CZTS, CTS, and the related compounds
Takahiro Wada
Author information

2022 Volume 2022 Article ID: 220204


Ternary and multinary compounds used in polycrystalline thin-film solar cells are I–III–VI2 semiconductors typified by CuInSe2 (CISe), I2–II–IV–VI4 compounds such as Cu2ZnSnS4 (CZTS), and I2–IV–VI3 compounds such as Cu2SnS3 (CTS). Their crystal structures are chalcopyrite type (space group I42d (122)) for CISe, kesterite type (space group I4 (79)) for CZTS, and monoclinic system (space group Cc (9)) for CTS. In this review, we describe the characteristics of their crystal structures and electronic structures such as band-gap energy and energy levels of valence band maxima (VBM) and conduction band minima (CBM). The differences of electronic structures between ZnSe and CuGaSe2, CuInSe2 and Cu2ZnSnSe4, and Cu2ZnSnS4 and Cu2SnS3 will be discussed on the basis of the results of theoretical calculations and molecular orbital energy-level diagrams.

Content from these authors
© 2022 The Author(s)

Content from this work may be used under the terms of the Creative Commons Attribution 4.0 license. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
Previous article Next article