First-principles investigation of pressure-modulated structural, electronic, mechanical, and optical characteristics of Sr3PX3 (X = Cl, Br) for enhanced optoelectronic application

Author:

Joifullah Sheikh,Hossain Md. Adil,Al Yeamin Maruf,Haque Md. Mahfuzul,Pingak Redi Kristian,Mohammad Noorhan F. AlShaikh,Abu-Jafar Mohammed S.,Mousa Ahmad A.,Hosen Asif

Publisher

Springer Science and Business Media LLC

Reference95 articles.

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2. Al-Fahdi, M., Rodriguez, A., Ouyang, T., Hu, M.: High-Throughput computation of new carbon allotropes with diverse hybridization and ultrahigh hardness. Crystals 11, 783 (2021). https://doi.org/10.3390/cryst11070783

3. Algahtani, A., RehmanLiaqat, F.M., Juraev, N., Khan, I., Alsuhaibani, A.M., AbdullahTirth, V., Refat, M.S., Zaman, A.: Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework. Inorganic Chem. Commun. 162, 112186 (2024). https://doi.org/10.1016/j.inoche.2024.112186

4. Ali, A.H., Ahmed, A.M., Abdel-Khaliek, A.A., Abd El Khalik, S., Abass, S.M., Shaban, M., Rabia, M.: Preparation of inorganic lead-free CuO/Cs2SnCl6-KI perovskite for green hydrogen production from wastewater by using solar energy. J. Photochem. Photobiol. a: Chem. 445, 115102 (2023). https://doi.org/10.1016/j.jphotochem.2023.115102

5. Ayaz, U., Shazia, A., Husain, M., Rahman, N., Bonyah, E.: Ab initio investigation of structural, electronic, magnetic, elastic, and optical properties of Cs-based chloro-perovskites CsXCl3 (X = Be and Rh). AIP Adv. 11, 105215 (2021). https://doi.org/10.1063/5.0065663

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