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Investigation of the physical properties and pressure-induced band gap tuning of Sr3ZBr3 (Z=As, Sb) for optoelectronic and thermoelectric applications: A DFT - GGA and mBJ studies

This study discusses the feasibility of diversifying the scope of application of lead-free Sr3ZBr3 (Z = As, Sb) as promising materials for their enhanced electronic, mechanical, optical, thermodynamic, and thermoelectric properties using first-principles calculation based on Density Functional Theor...

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Principais autores: Md. Adil Hossain, Asif Hosen, Heider A. Abdulhussein, Ahmad A. Mousa, Md. Muneef Hasan, Istiak Ahmed Ovi, Md. Riazul Islam, Redi Kristian Pingak, Mohammed S. Abu-Jafar
פורמט: Artigo
שפה:Inglês
יצא לאור: Elsevier 2024-12-01
סדרה:Results in Engineering
נושאים:
DFT
Dynamic stability
Hydrostatic pressure
Thermoelectric properties
Optoelectronic device
גישה מקוונת:http://www.sciencedirect.com/science/article/pii/S2590123024015937
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