Sn doped CdTe as candidate for intermediate-band solar cells: A first principles DFT+GW study

19th Chilean Physics Symposium 2014

Flores, Mauricio A.^1 ; Menéndez-Proupin, Eduardo^2

Departamento de Física, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, Nuñoa Santiago

780-0003, Chile^1

Departamento de Matemáticas, Facultad de Ciencias, Universidad de Chile, Casilla Santiago

653, Chile^2

关键词: Defect formation energies;    First principles;    First-principles density functional theory;    GW calculations;    Intermediate bands;    Intermediate-band solar cells;    Theoretical efficiencies;    Third generation;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/720/1/012033/pdf
DOI  :  10.1088/1742-6596/720/1/012033

来源: IOP

【 摘 要 】

In this work, we investigate the electronic properties and defect formation energies of Sn doped CdTe combining first principles density-functional theory and many body GW calculations. Due to the Sn dopant, an isolated impurity band is formed in the middle of the forbidden band gap of CdTe allowing the absorption of sub-bandgap photons via an intermediate-band. Our results suggest CdTe:Sn as a promising candidate for the development of third-generation intermediate-band solar cells with theoretical efficiencies up to 63.2%.