E-ISSN 2414-6013 | ISSN 2411-9636
 

Technical Note
Online Published: 12 Jan 2025
 


DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection

Younes Ziat, Hamza Belkhanchi, Zakaryaa Zarhri.


Abstract
This study examines the structural, electrical, and optical properties of S-, Si-, and F-doped GeO2 rutile with a 6.25% doping concentration using density functional theory (DFT) and the FP-LAPW method. The results show that the structural parameters align with previous studies. Doping reduces the band gap from 4.09 eV for pure GeO2 to 1.98 eV for GeO1.9375Si0.0625. The optical properties, including dielectric constant, conductivity, refractive index, and absorption spectrum, were analyzed up to 13 eV, revealing anisotropy along the zz (001) and xx (100) axes. These doped materials are promising for UV-sensitive photonic detectors, as they remain efficient even under sunlight exposure in the visible and infrared spectra. This could lead to the development of photodetection devices suitable for bright environments where traditional detectors are affected by sunlight.

Key words: GeO2 Rutile, doped GeO2, DFT, Semiconductor, Optical properties.


 
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How to Cite this Article
Pubmed Style

Ziat Y, Belkhanchi H, Zarhri Z. DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection. Sol. Energy Sustain. Dev.. 2025; 14(1): 74-89.

doi:10.51646/jsesd.v14i1.232



Web Style

Ziat Y, Belkhanchi H, Zarhri Z. DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection. https://www.jsesd.org/?mno=302658330 [Access: November 12, 2026].

doi:10.51646/jsesd.v14i1.232



AMA (American Medical Association) Style

Ziat Y, Belkhanchi H, Zarhri Z. DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection. Sol. Energy Sustain. Dev.. 2025; 14(1): 74-89.


doi:10.51646/jsesd.v14i1.232



Vancouver/ICMJE Style

Ziat Y, Belkhanchi H, Zarhri Z. DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection. Sol. Energy Sustain. Dev.. (2025), [cited November 12, 2026]; 14(1): 74-89.


doi:10.51646/jsesd.v14i1.232



Harvard Style

Ziat, Y., Belkhanchi, . H. & Zarhri, . Z. (2025) DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection. Sol. Energy Sustain. Dev., 14 (1), 74-89.


doi:10.51646/jsesd.v14i1.232



Turabian Style

Ziat, Younes, Hamza Belkhanchi, and Zakaryaa Zarhri. 2025. DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection. Solar Energy and Sustainable Development, 14 (1), 74-89.


doi:10.51646/jsesd.v14i1.232



Chicago Style

Ziat, Younes, Hamza Belkhanchi, and Zakaryaa Zarhri. "DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection." Solar Energy and Sustainable Development 14 (2025), 74-89.


doi:10.51646/jsesd.v14i1.232



MLA (The Modern Language Association) Style

Ziat, Younes, Hamza Belkhanchi, and Zakaryaa Zarhri. "DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection." Solar Energy and Sustainable Development 14.1 (2025), 74-89. Print.


doi:10.51646/jsesd.v14i1.232



APA (American Psychological Association) Style

Ziat, Y., Belkhanchi, . H. & Zarhri, . Z. (2025) DFT Analysis of Structural, Electrical, and Optical Properties of S, Si, and F-Doped GeO2 Rutile: Implications for UV-Transparent Conductors and Photodetection. Solar Energy and Sustainable Development, 14 (1), 74-89.


doi:10.51646/jsesd.v14i1.232