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Technical Note
Online Published: 26 Sep 2025
 


First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties

Lhouceine Moulaoui, Abdelhafid Najim, Abdlmounaim Laassouli, Omar Bajjou, Khalid Rahmani, Bouzid Manaut Bouzid Manaut.


Abstract
This study focuses on the examination of the optical and electronic properties of  perovskite structures, with particular emphasis on the effect of germanium ( Ge) doping on these properties. The aim of this study is to explore how doping  with Ge can affect its optoelectronic properties and thus optimize its efficiency in applications such as photovoltaic solar cells. We used the code CASTEP from the Materials Studio software to calculate the optical and electronic attributes of perovskite structures , doping the lead (Pb) metal with three different percentages of germanium: 12.5%, 25%, and 37.5%. Pure  perovskite has a bandgap energy (Eg) of 1.733 eV. The bandgap energies of the doped materials are 1.57 eV, 1.545 eV, and 1.503 eV, respectively. The pure  structure has a maximum absorption coefficient of  in the wavelength range of 400 nm to 800 nm. This calculation also studied the effects of Ge doping on the bandgap energy, absorption, total density of states, the real and imaginary components of the dielectric function, as well as the refractive index, the optical conductivity, and the loss function. The computed results align with the experimental findings and provide information on the possibility of modulating the optical properties and electronic of  through Ge doping, doping  with Ge enhances its optoelectronic properties, particularly its absorption in the visible range, optimizing its efficiency in photovoltaic solar cells. These improvements make Ge-doped  promising for renewable energy applications, as well as in light-emitting diodes and laser devices.

Key words: CH₃NH₃PbI₃, Absorption coefficient, Bandgap energy, Density of states, Refractive index.


 
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How to Cite this Article
Pubmed Style

Moulaoui L, Najim A, Laassouli A, Bajjou O, Rahmani K, Manaut BMB. First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties. Sol. Energy Sustain. Dev.. 2025; 14(2): 67-78.

doi:10.51646/jsesd.v14iSTR2E.799

Web Style

Moulaoui L, Najim A, Laassouli A, Bajjou O, Rahmani K, Manaut BMB. First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties. https://www.jsesd.org/?mno=302658367 [Access: November 11, 2026].

doi:10.51646/jsesd.v14iSTR2E.799

AMA (American Medical Association) Style

Moulaoui L, Najim A, Laassouli A, Bajjou O, Rahmani K, Manaut BMB. First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties. Sol. Energy Sustain. Dev.. 2025; 14(2): 67-78.


doi:10.51646/jsesd.v14iSTR2E.799

Vancouver/ICMJE Style

Moulaoui L, Najim A, Laassouli A, Bajjou O, Rahmani K, Manaut BMB. First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties. Sol. Energy Sustain. Dev.. (2025), [cited November 11, 2026]; 14(2): 67-78.


doi:10.51646/jsesd.v14iSTR2E.799

Harvard Style

Moulaoui, L., Najim, . A., Laassouli, . A., Bajjou, . O., Rahmani, . K. & Manaut, . B. M. B. (2025) First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties. Sol. Energy Sustain. Dev., 14 (2), 67-78.


doi:10.51646/jsesd.v14iSTR2E.799

Turabian Style

Moulaoui, Lhouceine, Abdelhafid Najim, Abdlmounaim Laassouli, Omar Bajjou, Khalid Rahmani, and Bouzid Manaut Bouzid Manaut. 2025. First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties. Solar Energy and Sustainable Development, 14 (2), 67-78.


doi:10.51646/jsesd.v14iSTR2E.799

Chicago Style

Moulaoui, Lhouceine, Abdelhafid Najim, Abdlmounaim Laassouli, Omar Bajjou, Khalid Rahmani, and Bouzid Manaut Bouzid Manaut. "First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties." Solar Energy and Sustainable Development 14 (2025), 67-78.


doi:10.51646/jsesd.v14iSTR2E.799

MLA (The Modern Language Association) Style

Moulaoui, Lhouceine, Abdelhafid Najim, Abdlmounaim Laassouli, Omar Bajjou, Khalid Rahmani, and Bouzid Manaut Bouzid Manaut. "First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties." Solar Energy and Sustainable Development 14.2 (2025), 67-78. Print.


doi:10.51646/jsesd.v14iSTR2E.799

APA (American Psychological Association) Style

Moulaoui, L., Najim, . A., Laassouli, . A., Bajjou, . O., Rahmani, . K. & Manaut, . B. M. B. (2025) First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite: : Optical and Electronic Properties. Solar Energy and Sustainable Development, 14 (2), 67-78.


doi:10.51646/jsesd.v14iSTR2E.799

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