Optical Properties of the Cs2AgBiX6 (X=Br or Cl) Double Perovskites Using Both Kohn-Sham and Green's Function Approaches

Moradi, Asma; Mokhtari, Ali

doi:10.30473/jphys.2024.71748.1198

Document Type : Research

Authors

Asma Moradi ¹
Ali Mokhtari ²

¹ Ph.D. Student, Departement of Physic, Faculty of Science, Shahrekord University, Shahrekord, Iran

² Associate Professor, Departement of Physic, Faculty of Science, Shahrekord University, Shahrekord, Iran.

https://doi.org/10.30473/jphys.2024.71748.1198

Abstract

In the present work, the structural, electronic and optical properties of the lead-free double perovskites Cs₂AgBiX₆ (X=Br or Cl) are analyzed in the framework of density functional theory approximation (LDA) and generalized gradient approximation (GGA) with the Abinit computational package. These compounds are good alternative to lead halide perovskites due to their good stability and non-toxicity. The optical excitations of the double perovskites are important due to their optimal band gap in the visible light spectrum and low excitonic binding energy. The optical properties including: absorption, refraction, extinction and reflection coefficients and loss function, are obtained using random phase approximation in the Kohn-Sham (RPA-KS) and Green's (RPA-GW) approaches. The results of the Green's function approach are in better agreement with the results of experimental works compared to the RPA-KS approach. In the visible region, there are not volume plasmons, and the amount of energy loss is low

Keywords

References

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Quarterly Journal of Optoelectronic

Optical Properties of the Cs2AgBiX6 (X=Br or Cl) Double Perovskites Using Both Kohn-Sham and Green's Function Approaches

References

References

Volume 7, Issue 1 - Serial Number 18
November 2024
Pages 9-18

Optical Properties of the Cs2AgBiX6 (X=Br or Cl) Double Perovskites Using Both Kohn-Sham and Green's Function Approaches

References

References

Volume 7, Issue 1 - Serial Number 18November 2024Pages 9-18

Volume 7, Issue 1 - Serial Number 18
November 2024
Pages 9-18