Journal
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
Volume 236, Issue -, Pages 147-152Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.mseb.2018.11.006
Keywords
Intermediate band solar cell; Chalcopyrite compound; First-principles calculation; Doping
Funding
- National Natural Science Foundation of China [61664003, 51571065, 11574088]
- Innovation-Driven Development Foundation of Guangxi Province [AA17204063]
- Research Council of Norway [243642]
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In this work, we have investigated Si, Ge and Sn doped at III-site(Ga or Al) in CuGaSe2, CuAlSe2, AgGaSe2, and AgAlSe2 as the candidates for intermediate band solar cell (IBSC), and demonstrated that the absolute energy levels of the intermediate band from a given group IV dopant in various Se-based chalcopyrite hosts do not show remarkable changes. This is resulted from the fact that the intermediate band originates from the same anti-bonding state of IV-s and Se-p states. The intermediate bands sequence of Ge* < Sn* < Si* from the different dopants in the same chalcopyrite host is explained by a simple model based on the atomic orbital energy and bond interaction. Furthermore, Sn-doped CuAlSe2 with the suitable main-gap and sub-gaps has been selected out as a potential candidate for IBSC, and alloying with isovalent cations to adjust to proper sub-band gaps has been demonstrated in Ge-doped (Ag,Cu)AlSe2 and Ag(Ga,Al)Se-2.( )
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