Investigation of half metallic properties of Tl2Mo(Cl/Br)6 double perovskites for spintronic devices

M. Ammar Yasir, Ghulam M. Mustafa, Bisma Younas, N. A. Noor, Mehdi Ali, Sadia Nazir, Ahmed Z. Dewidar and Hosam O. Elansary

RSC Adv., 2024, 14, 16859
DOI: 10.1039/D4RA01759E

A study of stable half-metallic variant perovskites X2TaCl6 (X = K, Cs) for possible spintronic applications

Malak Azmat Ali and Omar Alsalmi

RSC Adv., 2025, 15, 50010
DOI: 10.1039/D5RA07551C

Computational exploration of Cs2LiMoX6 (X=Cl, I) halide double perovskites: Unveiling energy storage potentials

Nasarullah, R. Bousbih, Muhammad Sajid, Talha Sattar, Ali S. Alshomrany, Sarah Alharthi, Mohammed A. Amin, Yaser A. El-Badry, Mohamed Shaban, Arsalan Ahmad and Mubashir Nazar

Physica B: Condensed Matter, 2024, 687, 416070
DOI: 10.1016/j.physb.2024.416070

Exploration of lead free half-metallic double perovskites Li2Mo(Cl/Br)6 for spintronic device: DFT-calculations

Wasif Tanveer, Syed Adeel Abbas, N.A. Noor, Bisma Ali, Sohail Mumtaz and Ihab Mohamed Moussa

Materials Science and Engineering: B, 2024, 310, 117772
DOI: 10.1016/j.mseb.2024.117772

First-Principles evaluation of Lead-Free X2NaIO6 (X=Sr, Ba) Double-Perovskite: For optoelectronic and solar cell applications

Asima Aziz, Nazia Bibi, Muhammad Usman and Shahzadi Noreen

Chemical Physics, 2024, 586, 112405
DOI: 10.1016/j.chemphys.2024.112405

Effect of the spin-orbit coupling and Hubbard corrections in predicting the electronic and magnetic properties of vacancy-ordered double perovskites A2WCl6 (A = Rb and Cs)

Mourad Touati, Mostefa Zemouli, Zoheir Akil, Fatiha Saadaoui, Mohamed Meskine, Habib Boutaleb and Kadda Amara

Phys. Scr., 2024, 99, 0659b5
DOI: 10.1088/1402-4896/ad4c1a

Synthesis and characterization of Rb2SnBr6: a vacancy-ordered perovskite for efficient optoelectronic devices

Dhaifallah R. Almalawi, Mohamed Bouzidi, Idris H. Smaili, N. I. Aljuraide, Ali Alzahrani, A. Saftah, Dalal Alzahrani and Mohamed Ben Bechir

J Mater Sci: Mater Electron, 2025, 36
DOI: 10.1007/s10854-025-15546-9

Tunability of half metallicity and thermoelectric indicators in Na2TaX6 (X = Cl, Br) vacancy ordered double perovskites

M. Ammar Yasir, Ghulam M. Mustafa, M. Adil Ameer, N.A. Noor, Sohail Mumtaz and Ihab Mohamed Moussa

Materials Science and Engineering: B, 2025, 311, 117830
DOI: 10.1016/j.mseb.2024.117830

Role of Anion Variation in Physical Properties of Novel Vacancy Ordered Ga2PtX6 (X = Br and I) for Solar Cell and Thermoelectric Applications

Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor, Sadaf Sahid, Ramesh Sharma, Rajwali Khan, Nargiza Kamolova and Taoufik Saidani

J Inorg Organomet Polym, 2025, 35, 5832
DOI: 10.1007/s10904-025-03625-7

Exploring the structural, electronic, magnetic and optical properties of new halide double perovskites Li2RbMX6 (M = Fe, V, Sc; X = Br, F): Insights for spintronic and photovoltaic applications

F. El Aissaoui, M. Bghour, M. Benaadad, M. Mardy, M. Khenfouch, A. Labrag and H. El Ouaddi

Next Materials, 2025, 9, 101185
DOI: 10.1016/j.nxmate.2025.101185

Study of structural, electronic, magnetic, and transport properties of Sr2XMoO6 (X = Cr, Mn) for spintronic and energy harvesting

Noura Dawas Alkhaldi, Jabir Hakami, Q. Mahmood, M.S. Rashid, Youssef Bakkour, Mohd Taukeer Khan, Ali Akremi and N. Can

Materials Chemistry and Physics, 2025, 343, 131065
DOI: 10.1016/j.matchemphys.2025.131065

Cerium-based lead-free vacancy ordered double perovskites A2CeX6(A = Cs, K and X = Cl, Br) for sustainable energy applications

Showkat Hassan Mir, Nazir Ahmad Teli and Basharat Want

Solar Energy, 2025, 298, 113705
DOI: 10.1016/j.solener.2025.113705

First-Principle Analysis of K2NaTiX6 (X=F, Cl and Br): Magnetic Stability and Half-Metallic Behavior

Khadidja Mokaddem, Rachida Malaoui, Djillali Bensaid, Doumi Bendouma, Mohammed Kheirallah, Abla Bendahah, Nour-Eddine Benkhettou and Kaddour Bencherif

ECS J. Solid State Sci. Technol., 2025, 14, 013004
DOI: 10.1149/2162-8777/ada57a

A systematic DFT study of the structural, electronic and magnetic properties of 3d transition metal based double perovskites Rb2MCl6 (M = V, Cr, Mn)

M. Musa Saad H.-E. and B.O. Alsobhi

Materials Today Communications, 2024, 40, 110007
DOI: 10.1016/j.mtcomm.2024.110007

Mechanical, half-metallic ferro-magnetic and thermoelectric properties double perovskites Li2W(Cl/Br)6 for spintronic and energy devices: DFT-calculations

Mehran Ahmad, Rajwali Khan, M. U. Sohaib, N. A. Noor, Sohail Mumtaz, Hosam O. Elansary and A. Ibrahim

Sci Rep, 2026, 16
DOI: 10.1038/s41598-026-35445-1

Investigation of spin polarized semiconductor Cs2XMoBr6 (X = Li, Na) compounds for spintronic and optoelectronic applications

Mutasem Z. Bani-Fwaz, Muhammad Sajid, Majid S. Jabir, Faeza H. Zankanah, Muniba Urooj, Hasan Majdi, Tamer H.A. Hasanin, Sarah Alharthi, Mohammed A. Amin, Fahad M. Almutairi, Yazen M. Alawaideh, Jahangir Abbas, Sehrish Saleem and Mubashir Nazar

Physica B: Condensed Matter, 2025, 696, 416632
DOI: 10.1016/j.physb.2024.416632

First-principles and AIMD study of structural, magnetic, and optoelectronic properties of vacancy-ordered double perovskites Ag2BCl6 (B = Tc, Re) for advanced spintronic and optoelectronic applications

J. Islah, E. Darkaoui, A. Abbassi, S. Taj, B. Manaut and H. Ez-Zahraouy

Computational Condensed Matter, 2025, 44, e01090
DOI: 10.1016/j.cocom.2025.e01090

DFT-based (HSE06) investigation of band gap engineering: Optoelectronic, mechanical and thermodynamic insights in Cs2AgBiY6 (Y Br, I) for photovoltaic applications

Mohamed Eddekkar, Hassan El-Ouaddi, Abdelaziz Labrag, Mustapha Bghour, Ahmed Soussi, Jellil Zakaria and Ahmed Tirbiyine

Micro and Nanostructures, 2024, 190, 207840
DOI: 10.1016/j.micrna.2024.207840

Computational study of K2OsI6 double perovskite for spintronics, and thermoelectric applications

Nazir Ahmad Teli, Showkat Hassan Mir and Basharat Want

Computational Condensed Matter, 2025, 44, e01104
DOI: 10.1016/j.cocom.2025.e01104

The Ferromagnetic Character, Mechanical and Optoelectronic Attributes of Rubidium-Based Rb2NaMoX6 (X = Br, I) Double Perovskites: Spin-Polarized Computations

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

J Inorg Organomet Polym, 2024, 34, 5817
DOI: 10.1007/s10904-024-03229-7

The influence of intrinsic defects in bandgap engineering of Rubidium-based double perovskites halide: Novel materials for spintronic and optoelectronic devices

Ijaz Ali, Quratul Ain, Atif Mossad Ali, Youssef Trabelsi and Junaid Munir

Int. J. Mod. Phys. B, 2026
DOI: 10.1142/S0217979226500955

Investigations of mechanical, magnetic and thermoelectric properties of double perovskites Na2IrX6 (X=Cl, Br) for spintronic and energy harvesting applications

Ghulam M. Mustafa, M. Umer Farooq, M. Adil Ameer, N.A. Noor, Yasir Saeed, Sohail Mumtaz and Khalid M. Elhindi

Materials Chemistry and Physics, 2025, 334, 130501
DOI: 10.1016/j.matchemphys.2025.130501

Halide-dependent modulation of electronic and optical properties in K2SbAuX6 (X=F, Cl) lead-free perovskites

Md. Ferdous Rahman, Ahsan Habib, Md. Faruk Hossain, Nacer Badi, Md. Atikur Rahman, Aijaz Rasool Chaudhry and Ahmad Irfan

Int. J. Mod. Phys. B, 2025, 39
DOI: 10.1142/S021797922550290X

Designing and optimizing the lead-free double perovskite Cs2AgBiI6/Cs2AgBiBr6 bilayer perovskite solar cell

Huan Chen, Chaoen Li, Wenquan Zhou, Jili Wen, Mei Ma, Yuelin Chen, Kai Huang, Yang Ling, Jiang Wu, Yang Zhao, Xin Zeng and Yuxiang Wu

Solar Energy, 2024, 284, 113087
DOI: 10.1016/j.solener.2024.113087

DFT Insights and Photovoltaic Performance of K₂NaScI₆ in Y/ZnO/TiO₂/K₂NaScI₆/Se Solar Cells

Djillali Bensaid, Khadidja Atig, Rachida Malaoui, Mohammed Kheir Allah, Dounia Ikram Sengra, Bendouma Doumi, Imad Khaled Bensafa and Kaddour Bencherif

J. Electron. Mater., 2025, 54, 7544
DOI: 10.1007/s11664-025-12111-2

Mechanical, optoelectronic and thermoelectronic properties of double perovskites halides Rb2TCl6 [T = V, Cr, Mn] for optoelectronics and thermoelectronic applications

M. Musa Saad H.-E. and B.O. Alsobhi

Journal of Physics and Chemistry of Solids, 2024, 194, 112246
DOI: 10.1016/j.jpcs.2024.112246

Investigation of spin based transport properties of half metallic ferromagnet Tl2WX6 (X = Cl, Br and I) for spintronic and thermoelectric applications

Y. Dhakshayani and G. Kalpana

Materials Science in Semiconductor Processing, 2024, 182, 108736
DOI: 10.1016/j.mssp.2024.108736

Structural, thermodynamic, magnetic and electronic properties of novel bromide double perovskites Rb2XBr6 (X4+ = V4+, Cr4+, Mn4+) from first-principles DFT computational modeling

M. Musa Saad H.-E. and B.O. Alsobhi

Computational Condensed Matter, 2024, 41, e00976
DOI: 10.1016/j.cocom.2024.e00976

Investigation of optoelectronic and thermoelectric characteristics of Tl2Os(Cl/Br)6 double perovskites for renewable energy applications

Ghulam M. Mustafa, Bisma Younas, Muhammad Waseem, Ateeq-ur-Rehman, N.A. Noor, Khalid M. Elhindi and Sohail Mumtaz

Materials Science in Semiconductor Processing, 2025, 192, 109420
DOI: 10.1016/j.mssp.2025.109420

First principle investigation of some physical properties of narrow band-gap vacancy ordered double perovskite In2PdBr6 (IPB) semiconductor

Subhendu Das, Manish Debbarma and Surya Chattopadhyaya

Interactions, 2024, 245
DOI: 10.1007/s10751-024-02023-8

Theoretical study of vacancy-ordered rubidium double perovskites (Rb2VBr6, Rb2CrBr6, and Rb2MnBr6) for spintronics, optoelectronics and thermoelectronics applications

M. Musa Saad H․-E․ and B.O. Alsobhi

Physics Letters A, 2025, 535, 130276
DOI: 10.1016/j.physleta.2025.130276

Optimized synthesis, tunable luminescence, and white light LED application in Dy3+ /Sm3+ co-doped Ca2YSbO6 double perovskite phosphors

Abbas Nasir, Muhammad Zakria, Yuan-Hang Ren, Zeeshan Muhammad, Osama Gohar, Mei Chen, Baohua Zhang, Shu-Sheng Pan, Mao Ye and Ren-Kui Zheng

Journal of Alloys and Compounds, 2026, 1050, 185607
DOI: 10.1016/j.jallcom.2025.185607

A First-Principles Insight to Explore the Optoelectronic, Thermodynamic, and Transport Properties of Ferromagnetic Double Perovskites Li₂CuOsX₆ (X = Cl, Br) for Energy Conversion Applications

M. Ammar Yasir, Samia Shahzadi, Usman Saeed, Abdelaziz Gassoumi, N. A. Noor, Sohail Mumtaz and A. Laref

J Inorg Organomet Polym, 2026, 36, 279
DOI: 10.1007/s10904-025-03937-8