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To explore the structural and optoelectronic properties of LiSrBr3 halide perovskite, generalised gradient potential is incorporated within the density functional theory framework. The electronic band structure and density of states reveals the p-type semiconducting nature of LiSrBr3 sample with an indirect band gap value of 2.96 eV. Optical properties of the present perovskite are studied in terms of dielectric constant, absorption coefficient, reflectivity and refractivity, which strongly support the bandgap value of material. The multiple optical absorption peaks of LiSrBr3 are lying in the UV region which reveals its applications in optoelectronic and high-power operation devices.

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A DFT Study of Optoelectronic Properties of New Lead Free Single Perovskite LiSrBr3 for Energy Applications

  • 会议论文

  • 发表日期：

    2025年

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  • Anuradha,
  • Deepak K. Meena,
  • Monika Rani,
  • Sunil Kumawat,
  • Gunjan Arora

摘要

To explore the structural and optoelectronic properties of LiSrBr3 halide perovskite, generalised gradient potential is incorporated within the density functional theory framework. The electronic band structure and density of states reveals the p-type semiconducting nature of LiSrBr3 sample with an indirect band gap value of 2.96 eV. Optical properties of the present perovskite are studied in terms of dielectric constant, absorption coefficient, reflectivity and refractivity, which strongly support the bandgap value of material. The multiple optical absorption peaks of LiSrBr3 are lying in the UV region which reveals its applications in optoelectronic and high-power operation devices.