Half-metallicity of novel halide double perovskites K2CuVCl6 and Rb2CuVCl6: application in next-generation spintronic devices

Mohammed El Amine Monir, Hadj Baltach, K. Bouferrache, M. Fatmi, M. A. Ghebouli, Faisal Katib Alanazi, B. Ghebouli, Maroua Imène Benamrani and Rabah Boudissa

RSC Adv., 2025, 15, 17685
DOI: 10.1039/D5RA02811F

A deep dive into cation-modified structural, mechanical, magneto‑electronic, and thermophysical properties of MAlO3 (M = Ca, Sr, Ba, and Ra): First-principles investigation

Asif Hosen, Md. Rafiqul Islam, Ahmad A. Mousa and Mohammed S. Abu-Jafar

Results in Engineering, 2025, 25, 104016
DOI: 10.1016/j.rineng.2025.104016

First-principles study of structural, electronic, optical, and thermoelectric properties of BaXSe2 (X = Fe, Co, and Ni) for optoelectronic devices

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J Sol-Gel Sci Technol, 2025, 116, 1877
DOI: 10.1007/s10971-025-06774-w

Designing high-capacity hydrogen storage materials: DFT insights into Ca-based complex hydrides MCa M′ H6 (M = Li, Na; M′ = Co, Rh, Ir)

Asif Hosen, Ebrahim Nemati-Kande, Hanof Dawas Alkhaldi, Ahmad A. Mousa, Ali Akremi, Imed Boukhris and Mohammed S. Abu-Jafar

Journal of Materials Research and Technology, 2025, 36, 8688
DOI: 10.1016/j.jmrt.2025.05.112

First-principles investigation of SrXSe2 (X = Fe, Co, Ni) compounds: A comparative study of structural, electronic, optical, and thermoelectric properties

Yazen M. Alawaideh, Bashar M. Al-khamiseh, Samer Alawaideh, Ahmad A. Mousa and Dima Khater

Journal of Physics and Chemistry of Solids, 2026, 208, 113179
DOI: 10.1016/j.jpcs.2025.113179

Magnetic, Electronic, and thermoelectric potential of X2NiMnO6 (X = Dy, Ho, Er, Tm, Yb) perovskites in optoelectronics via DFT analysis

Khawar Ismail, Abhinav Kumar, Soumaya Gouadria, Bhavesh Kanabar, M.M. Rekha, Reddi Mohan Naidu Kalla, Karthikeyan Jayabalan, Vivek Kumar Pandey, Hassan Ali, Muhammad Jamil and Jaewoong Lee

Materials Science and Engineering: B, 2025, 319, 118353
DOI: 10.1016/j.mseb.2025.118353

Exploring the effect of pressure on Rb2CsGaCl6 perovskite halide: A pathway for enhanced optoelectronic performance

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Inorganic Chemistry Communications, 2025, 179, 114723
DOI: 10.1016/j.inoche.2025.114723

Structural elastic and thermodynamic properties of cubic CsCl type MgCa using ab initio approach

Abdelfateh Benmakhlouf, Nadhira Bioud, M. A. Ghebouli, M. Fatmi, Razan A. Alshgari, Saikh Mohammad and Mika Sillanpää

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-03689-y

First-principles study of the structural, thermoelectric, and optoelectronic properties of X2InAgBr6 (X = Na, K) compounds for green and sustainable energy

H. Kerrai, A. Ait M’hid, E.M. Jalal, H. Saadi, R. El Mrabet, A. Zaim and M. Kerouad

Materials Today Chemistry, 2025, 48, 102881
DOI: 10.1016/j.mtchem.2025.102881

Investigating the multifaceted properties: Magneto-electronic, mechanical, thermophysical, optical and thermoelectric properties of Scandium based full Heusler alloys for spintronic and optoelectronic applications

Shruti Sharma and Dinesh C. Gupta

Materials Science and Engineering: B, 2025, 314, 118070
DOI: 10.1016/j.mseb.2025.118070

DFT-driven pressure-induced modulation in K2TIYCl6: unlocking pressure-responsive physical and photo-catalytic properties

Zahid Khan, Abdul Manan, Naimat Ullah Khan, Asif Nawaz Khan, Arshad Khan, Sheikh Joifullah, Maruf Al Yeamin and Gang Liu

Opt Quant Electron, 2025, 57
DOI: 10.1007/s11082-025-08342-6

Exploring spin-polarized structural, ferromagnetic, optoelectronic, thermodynamic, and mechanical attributes of lead-free Cs2GdAuX6 (X = Br/I) double perovskites for spintronics and green energy applications

Saif M. H. Qaid, Inamul Mursaleen, Junaid Munir, Quratul Ain, Hamid M. Ghaithan, Abdullah Ahmed Ali Ahmed and Abdullah S. Aldwayyan

Opt. Mater. Express, 2026, 16, 141
DOI: 10.1364/OME.583434