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Technical Note
Online Published: 26 Sep 2025
 


Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications

Ayoub Koufi, Younes Ziat, Hamza Belkhanchi, Abdellah Bouzaid.


Abstract
This study explores the structural, electrical, and thermoelectric properties of crystalline beryllium hydrides BeXH3 (X = Al, Ga, In) using the generalized gradient approximation (GGA) within the framework of density functional theory (DFT). The analysis is performed using the BoltzTrap package, integrated with the Wien2k code, and the Murnaghan equation of state to determine total energy and atomic volume while providing detailed information on band structure and electronic densities of states. Key thermoelectric properties, including power factor (PF), figure of merit (Zt), thermal conductivity (k), and electrical conductivity (σ), were investigated over a temperature range from 300 to 900 K. The results show that BeGaH3 exhibits the best thermoelectric performance over the entire temperature range, with a maximum electrical conductivity of 3.5*10²⁰ (1/Ω.m) at 900 K. In contrast, BeAlH3 and BeInH3 show interesting thermoelectric behaviors with an increase in efficiency at higher temperatures. Thermal conductivity increases with temperature, influenced by electron vibrations, while Zt and PF factors show material-specific variations, highlighting the optimization potential of these compounds for thermoelectric devices.

Key words: DFT, BeAlH₃, BeGaH₃, BeInH₃, Gravimetric, Hydrogen, Thermal.


 
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How to Cite this Article
Pubmed Style

Koufi A, Ziat Y, Belkhanchi H, Bouzaid A. Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications. Sol. Energy Sustain. Dev.. 2025; 14(2): 1-14.

doi:10.51646/jsesd.v14iSTR2E.786

Web Style

Koufi A, Ziat Y, Belkhanchi H, Bouzaid A. Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications. https://www.jsesd.org/?mno=302658363 [Access: November 12, 2026].

doi:10.51646/jsesd.v14iSTR2E.786

AMA (American Medical Association) Style

Koufi A, Ziat Y, Belkhanchi H, Bouzaid A. Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications. Sol. Energy Sustain. Dev.. 2025; 14(2): 1-14.


doi:10.51646/jsesd.v14iSTR2E.786

Vancouver/ICMJE Style

Koufi A, Ziat Y, Belkhanchi H, Bouzaid A. Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications. Sol. Energy Sustain. Dev.. (2025), [cited November 12, 2026]; 14(2): 1-14.


doi:10.51646/jsesd.v14iSTR2E.786

Harvard Style

Koufi, A., Ziat, . Y., Belkhanchi, . H. & Bouzaid, . A. (2025) Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications. Sol. Energy Sustain. Dev., 14 (2), 1-14.


doi:10.51646/jsesd.v14iSTR2E.786

Turabian Style

Koufi, Ayoub, Younes Ziat, Hamza Belkhanchi, and Abdellah Bouzaid. 2025. Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications. Solar Energy and Sustainable Development, 14 (2), 1-14.


doi:10.51646/jsesd.v14iSTR2E.786

Chicago Style

Koufi, Ayoub, Younes Ziat, Hamza Belkhanchi, and Abdellah Bouzaid. "Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications." Solar Energy and Sustainable Development 14 (2025), 1-14.


doi:10.51646/jsesd.v14iSTR2E.786

MLA (The Modern Language Association) Style

Koufi, Ayoub, Younes Ziat, Hamza Belkhanchi, and Abdellah Bouzaid. "Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications." Solar Energy and Sustainable Development 14.2 (2025), 1-14. Print.


doi:10.51646/jsesd.v14iSTR2E.786

APA (American Psychological Association) Style

Koufi, A., Ziat, . Y., Belkhanchi, . H. & Bouzaid, . A. (2025) Investigation of Thermoelectric and Structural Properties of BeAlH₃, BeGaH₃, and BeInH₃ perovskite Hydrides for Energy Applications. Solar Energy and Sustainable Development, 14 (2), 1-14.


doi:10.51646/jsesd.v14iSTR2E.786

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