Ideal half-filled intermediate band position in CuGaS 2 generated by Sb-related defect complex: A first-principles study
Artikel i vetenskaplig tidskrift, 2019

Cu-based chalcopyrite compounds have attracted much attention for photovoltaic application, while some of them (like CuGaS 2 ) have energy gaps greater than the optimal value. An isolated and half-filled intermediate band located at the lower part of its original band gap exhibits in CuGaS 2 with (Sb Ga + Zn Ga ) or (Sb Ga + V Cu ) defect complex, in line with the intrinsic p-type conductivity of the host, revealed from our first-principles calculations. Subsequently, the absorption coefficients of CuGaS 2 can cover the full solar light spectrum efficiently. Based on the defect formation energy calculations, however, these defect complexes are hard to reach a large concentration under equilibrium condition. Nevertheless, non-equilibrium growth methods are suggested to prepare samples inheriting the excellent adsorption coefficients.

Författare

Dan Huang

Guilin University of Electronic Technology

Guangxi University

Yang Xue

Guangxi University

Wentong Zhou

Guangxi University

Jingwen Jiang

Guangxi University

Hua Ning

Guilin University of Electronic Technology

Guangxi University

Jin Guo

Guilin University of Electronic Technology

Guangxi University

Yu Jun Zhao

South China University of Technology

Rongzhen Chen

Chalmers, Data- och informationsteknik

Clas Persson

Universitetet i Oslo

Applied Physics Express

18820778 (ISSN) 18820786 (eISSN)

Vol. 12 2 021002

Ämneskategorier

Atom- och molekylfysik och optik

Annan fysik

Den kondenserade materiens fysik

DOI

10.7567/1882-0786/aafa0d

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Senast uppdaterat

2019-04-15