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A DFT study of electronic, optical and thermoelectric properties of Ge-halide perovskites CsGeX3 (X=F, Cl and Br)
Bouhmaidi, Soukaina, Marjaoui, Adil, Talbi, Abdelali, Zanouni, Mohamed, Nouneh, Kalid, Setti, Larbi
Published in Computational Condensed Matter (01.06.2022)
Published in Computational Condensed Matter (01.06.2022)
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Electronic, optical and thermoelectric properties of the CsMF3 (M= Si or Ge) fluoro-perovskites
Selmani, Y., Labrim, H., Ziti, S., Bahmad, L.
Published in Computational Condensed Matter (01.09.2022)
Published in Computational Condensed Matter (01.09.2022)
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Ab initio study of the pressure dependence of mechanical and thermodynamic properties of GeB2O4 (B = Mg, Zn and Cd) spinel crystals
Zerarga, F., Allali, D., Bouhemadou, A., Khenata, R., Deghfel, B., Essaoud, S. Saad, Ahmed, R., Al-Douri, Y., Safaai, S.S., Bin-Omran, S., Naqib, S.H.
Published in Computational Condensed Matter (01.09.2022)
Published in Computational Condensed Matter (01.09.2022)
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Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of CaLiX3 (X = Cl, Br, and I) halide perovskites
Allaf, Hatem, Radjai, Missoum, Allali, Djamel, Bouhemadou, Abdelmadjid, Essaoud, Saber Saad, Bin-Omran, Saad, Khenata, Rabah, Al-Douri, Yarub
Published in Computational Condensed Matter (01.12.2023)
Published in Computational Condensed Matter (01.12.2023)
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First-principles calculations on structural, electronic, elastic, optical and thermoelectric properties of thallium based chloroperovskites TlMCl3 (M = Zn and Cd)
Bouhmaidi, Soukaina, Azouaoui, Abdelouahid, Benzakour, Najib, Hourmatallah, Ahmed, Setti, Larbi
Published in Computational Condensed Matter (01.12.2022)
Published in Computational Condensed Matter (01.12.2022)
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A first-principles investigation on the structural, electronic and optical characteristics of tetragonal compounds XAgO (X = Li, Na, K, Rb)
Allali, Djamel, Abdelmadjid, Bouhemadou, Saber, Saad Essaoud, Bahri, Deghfel, Zerarga, Fares, Amari, Rabie, Radjai, Missoum, Bin-Omran, Saad, Rabah, Khenata, Al-Douri, Yarub
Published in Computational Condensed Matter (01.03.2024)
Published in Computational Condensed Matter (01.03.2024)
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Comparative DFT-based investigation of physical properties of Cs2MBiBr6 (M= Ag, Cu, and Au) Perovskites: Sustainable materials for renewable energy
Ayyaz, Ahmad, Murtaza, G., Ahmed, Akhlaq, Ramay, Shahid M., Usman, Ahmad, Farid, Ghulam, Naeem, Maha
Published in Computational Condensed Matter (01.03.2024)
Published in Computational Condensed Matter (01.03.2024)
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Computational investigation of inverse perovskite SbPX3 (X = Mg, Ca, and Sr) structured materials with applicability in green energy resources
Rani, Upasana, Kamlesh, Peeyush Kumar, Joshi, Tarun Kumar, Singh, Rashmi, Sharma, Sheetal, Gupta, Rajeev, Kumar, Tanuj, Verma, Ajay Singh
Published in Computational Condensed Matter (01.09.2023)
Published in Computational Condensed Matter (01.09.2023)
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Study of the electronic and opto-electronic properties of the perovskite KPbBr3 by DFT and TDDFT methods
Idrissi, S., Mounkachi, O., Bahmad, L., Benyoussef, A.
Published in Computational Condensed Matter (01.12.2022)
Published in Computational Condensed Matter (01.12.2022)
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Revealing excellent electronic, optical, and thermoelectric behavior of Eu based EuAg2Y2 (Y= S/Se): For solar cell applications
Behera, Debidatta, Manzoor, Mumtaz, Iqbal, Muhammad Waqas, Lakra, Sangeeta, Mukherjee, S.K.
Published in Computational Condensed Matter (01.09.2022)
Published in Computational Condensed Matter (01.09.2022)
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