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<p>This study investigates the structural, electronic, and optical properties of tetragonal-phase RbGeA<sub>2</sub>X (A = Br, Cl; X = Br, I) lead-free mixed halide perovskites using density functional theory (DFT) with PBE-GGA for exchange-correlation energy. These perovskites show enhanced properties, including high charge carrier mobility, tunable direct band gaps, and strong ultra-violet (UV) absorption. Band structure and density of states (DOS) analyses highlight their suitability for optoelectronic applications. Optical studies of the dielectric function and absorption coefficient of the studied structures confirm their ability to absorb electromagnetic radiation beyond the visible spectrum, making them promising candidates for advanced (UV)-range optoelectronic devices.</p>

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The Structural, Electronic, and Optical Properties of the Tetragonal RbGeA₂X (A = Br & Cl; X = Br & I) Lead-Free Mixed Halide Perovskites for Ultraviolet Optoelectronic Applications

  • 期刊论文

  • 发表日期：

    2025年4月24日

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  • Nawzad A. Abdulkareem,
  • Hameed T. Abdulla,
  • Mohammed Noor S. Rammoo,
  • Bewar M. Ahmad

摘要

This study investigates the structural, electronic, and optical properties of tetragonal-phase RbGeA2X (A = Br, Cl; X = Br, I) lead-free mixed halide perovskites using density functional theory (DFT) with PBE-GGA for exchange-correlation energy. These perovskites show enhanced properties, including high charge carrier mobility, tunable direct band gaps, and strong ultra-violet (UV) absorption. Band structure and density of states (DOS) analyses highlight their suitability for optoelectronic applications. Optical studies of the dielectric function and absorption coefficient of the studied structures confirm their ability to absorb electromagnetic radiation beyond the visible spectrum, making them promising candidates for advanced (UV)-range optoelectronic devices.