Scholarlink

<p>This work explores the first principles study of the mechanical, electronic, optical, thermodynamic, and thermoelectric properties of cubic-phase CsSnI₃ perovskites using the generalized gradient approximation (GGA). The electronic band gap and density of states analysis show the direct nature of band gap. All the calculated elastic constant parameters meet the mechanical stability criteria of cubic geometry. Moreover, optical behavior has been analyzed in terms of absorption coefficient, energy loss function, dielectric and refractive index. Finally, the electrical conductivity, power factor, see-beck coefficient, thermal and electrical conductivity explained what material response have with temperature. Calculations based on the optical and thermoelectric properties of the compounds’ fundamental principles offer experimentalists a new avenue for the possible use of these compounds in energy-renewable devices.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

First Principles Investigations of Physical Properties of the CsSnI3 Halide Perovskite for Thermophotovoltaics Devices

  • 期刊论文

  • 发表日期：

    2025年2月17日

查看全文
  • Salman Ahmed,
  • Abdul Majid,
  • Mohammad Nasir,
  • Ghalib Ul Islam,
  • Syed Asad Ullah,
  • Naila Maqbool,
  • Ayesha Noreen,
  • Habiba Kiran,
  • Manan Ali,
  • Taoufik Saidani,
  • M. Ijaz Khan

摘要

This work explores the first principles study of the mechanical, electronic, optical, thermodynamic, and thermoelectric properties of cubic-phase CsSnI₃ perovskites using the generalized gradient approximation (GGA). The electronic band gap and density of states analysis show the direct nature of band gap. All the calculated elastic constant parameters meet the mechanical stability criteria of cubic geometry. Moreover, optical behavior has been analyzed in terms of absorption coefficient, energy loss function, dielectric and refractive index. Finally, the electrical conductivity, power factor, see-beck coefficient, thermal and electrical conductivity explained what material response have with temperature. Calculations based on the optical and thermoelectric properties of the compounds’ fundamental principles offer experimentalists a new avenue for the possible use of these compounds in energy-renewable devices.