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RESEARCH PAPER · Journal of Superconductivity and Novel Magnetism · 2017

Search for New Half-Metallic Ferromagnets in Quaternary Diamond-Like Compounds I–II2–III–VI4 and I2–II–IV–VI4 (I = Cu; II = Mn, Fe, Co; III = In; IV = Ge, Sn; VI = S, Se, Te)

Saadi Berri

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Search for New Half-Metallic Ferromagnets in Quaternary Diamond-Like Compounds I–II2–III–VI4 and I2–II–IV–VI4 (I = Cu; II = Mn, Fe, Co; III = In; IV = Ge, Sn; VI = S, Se, Te)OriginalFirst-principle study of structural, electronic and optical properties of Cu2FeSnS4 semiconductor21First-principles investigation of structural, electronic, optical and thermodynamic properties of KAg2SbS412Theoretical investigation of the structural, electronic and thermodynamic properties of cubic and orthorhombic XZrS3 (X = Ba,Sr,Ca) compounds51First principle investigation of the structural, electronic and elastic properties of the Laves phase compounds SrX2 (X = Pd and Pt)9Strain effect for the newly discovered spin-gapless diamond-like quaternary-type semiconductor CuMn2InSe48Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe462Wurtzite CuNi2InS4 Nanocrystals: A Quaternary Chalcogenide Magnetic Semiconductor5Preparation of quinary CuNi Zn2−InS4 nanocrystals with wurtzite structure and tunable band gap7First-Principles Predictions on Half-Metallic Results of RBaMn2O6-δ (R = Nd, Pr, La and δ = 0, 1) Double Perovskite Compounds30Electronic Structure and Thermoelectric Properties of Co‐, Fe‐, Mn‐, and Cr‐Doped Ba2LuTaO6 from Spin‐Polarized Calculations9First-Principles Search for Half-Metallic Ferromagnetism in Double Perovskite X2MnUO6 (X = Sr or Ba) Compounds27Ab-initio calculations on structural, electronic, half-metallic and optical properties of Co-, Fe-, Mn- and Cr-doped $\hbox {Ba}_{{\mathbf {2}}}\hbox {LuTaO}_{{\mathbf {6}}}$32New p-type sp-based half-Heusler compounds LiBaX(X = Si, Ge) for spintronics and thermoelectricity via ab-initio calculations21First-principle calculations to investigate structural, electronic, optical, thermodynamic, and thermoelectric properties of ABO3 (A=Cs, Rb and B= Ta, Nb) compounds44CsPd0.875Cr0.125I3 Promising Candidate for Thermoelectric Applications4Study on quaternary diamond-like Li2CaGeO4 properties for optoelectronic applications17Investigation of half-metallic ferromagnetism and transport properties of pnictide oxides REZnAsO (RE=La, Ce, Nd, Pr, Gd, Eu, Sm, Dy) for spintronics18Tailoring the Inherent Magnetism and Thermoelectric Response of Pyrochlore Oxide A2B2O7 (A = Er, B = Ru, Sn, Ge, Pt): A Computational Approach43Electronic and thermoelectric properties of the 2D Cu2FeSnS4: DFT study1Theoretical study on the microstructure and properties of Bi-Ti-O system5Promising photovoltaic, optoelectronic and p-type thermoelectric Sr4Pn2O (Pn = Sb, Bi) compounds: A first principles study12A systematic computational study of novel SrTrCu3Se4 (Tr = Al, Ga) direct band gap materials: Probing electronic, optical, and thermoelectric nature6The Ferromagnetic Character, Mechanical and Optoelectronic Attributes of Rubidium-Based Rb2NaMoX6 (X = Br, I) Double Perovskites: Spin-Polarized Computations9Substitutional effect of Ti-based CZTS alloys with the effective spin-orbit coupling interaction: Ab initio GGA+U study1Tuning the essential physical properties of KTaO3 through sulfur, selenium doping, and oxygen vacancy: A first principle investigation22Exploring Novel Ba2MBiO6 (M = Sm, Tb) Oxide Double Perovskites Employing DFT66Engineering the optoelectronic and thermoelectric properties of Cs2BiAgY6 (Y= Br or Cl) double perovskites through doping with iodine: A DFT study38Effects of applied pressure on structural, electronic, and optical properties of magnesium incorporated wurtzite beryllium oxide at different magnesium compositions0Examining Magnetic Properties and Multiferroicity in the Isostructural Cu2TSiS4 (T = Mn and Fe) System Based on the DFT Approach and the Orbital Interaction Analysis0First-principles exploration of redox, electronic, thermoelectric, and thermodynamic properties of binary transition metal NaX1/3Mn2/3O2 (X = Ag, W, Zr) for enhanced performance of Na-ion batteries4Band gap engineering and electronic structure of Cu2Ni(Sn,Ge,Si)Se4 kesterites: A DFT perspective on new earth-abundant semiconductors for high-performance photovoltaics4Comprehensive study of the light-matter interactions, thermoelectric properties, and elastic features of quaternary materials3Structural stability, large optical absorption, and high-performance thermoelectric transport in quaternary diamond-like K2VCuX4 (X = S, Te) semiconductors0Diamond-like quaternary chalcogenides A2VAgS4 (A = K, Rb, Cs) as earth-abundant candidates for near-room-temperature thermoelectric waste-heat recovery: a first-principles study0BaCu₃ScSe₄ and BaCu₃YSe₄ quaternary selenides: a first-principles exploration of mechanical, optical, and energy-conversion properties0

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  1. First-principle study of structural, electronic and optical properties of Cu2FeSnS4 semiconductor

    Computational Condensed Matter · 2018-07-17

    Fatimazahra Nainaa, Hamid Ez-zahraouy A

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  2. First-principles investigation of structural, electronic, optical and thermodynamic properties of KAg2SbS4

    Computational Condensed Matter · 2019-02-02

    Saadi Berri, N. Bouarissa, Mouloud Oumertem, Sabah Chami

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  3. Theoretical investigation of the structural, electronic and thermodynamic properties of cubic and orthorhombic XZrS3 (X = Ba,Sr,Ca) compounds

    Journal of Computational Electronics · 2019-03-01

    Mouloud Oumertem, Djamal Maouche, Saadi Berri, N. Bouarissa, P. Raics, R. Khenata, Miloud Ibrir

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  4. First principle investigation of the structural, electronic and elastic properties of the Laves phase compounds SrX2 (X = Pd and Pt)

    Chinese Journal of Physics · 2019-04-03

    Ahmad A. Mousa, Raed T. Jaradat, Said M. Al Azar, Mohammed Abu-Jafar, Emad K. Jaradat, J. M. Khalifeh, Khaled F. Ilaiwi

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  5. Strain effect for the newly discovered spin-gapless diamond-like quaternary-type semiconductor CuMn2InSe4

    Journal of Alloys and Compounds · 2019-04-19

    Tie jun Yang, Jieting Cao, R. Khenata, Zhenxiang Cheng, Min-Quan Kuang, Xiaotian Wang

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  6. Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4

    Journal of Superconductivity and Novel Magnetism · 2019-10-29

    Loubna Salik, Abdelmadjid Bouhemadou, Kaouthar Boudiaf, Fatma Saad Saoud, Saad Bin-Omran, R. Khenata, Yarub Al-Douri, A.H. Reshak

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  7. Wurtzite CuNi2InS4 Nanocrystals: A Quaternary Chalcogenide Magnetic Semiconductor

    Inorganic Chemistry · 2019-11-08

    Yueling Xu, Qi Fu, Shuijin Lei, Jinsong Xiong, Shunqiang Sun, Qinghuan Bian, Yanhe Xiao, Baochang Cheng

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  8. Preparation of quinary CuNi Zn2−InS4 nanocrystals with wurtzite structure and tunable band gap

    Journal of Alloys and Compounds · 2019-12-17

    Yueling Xu, Qi Fu, Shuijin Lei, Lixiang Lai, Jinsong Xiong, Qinghuan Bian, Yanhe Xiao, Baochang Cheng

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  9. First-Principles Predictions on Half-Metallic Results of RBaMn2O6-δ (R = Nd, Pr, La and δ = 0, 1) Double Perovskite Compounds

    Journal of Superconductivity and Novel Magnetism · 2020-01-15

    Saadi Berri, N. Bouarissa, Mourad Attallah

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  10. Electronic Structure and Thermoelectric Properties of Co‐, Fe‐, Mn‐, and Cr‐Doped Ba2LuTaO6 from Spin‐Polarized Calculations

    physica status solidi (b) · 2020-09-23

    Saadi Berri, Mourad Attallah, N. Bouarissa, Miloud Ibrir

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  11. First-Principles Search for Half-Metallic Ferromagnetism in Double Perovskite X2MnUO6 (X = Sr or Ba) Compounds

    Acta Physica Polonica A · 2020-12-01

    Saadi Berri

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  12. Ab-initio calculations on structural, electronic, half-metallic and optical properties of Co-, Fe-, Mn- and Cr-doped $$\hbox {Ba}_{{\mathbf {2}}}\hbox {LuTaO}_{{\mathbf {6}}}$$

    Pramana · 2021-02-17

    Saadi Berri

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  13. New p-type sp-based half-Heusler compounds LiBaX(X = Si, Ge) for spintronics and thermoelectricity via ab-initio calculations

    Journal of Computational Electronics · 2021-04-17

    Rachida Bentata, Samira Cherid, Sabria Terkhi, Bouabdellah Bouadjemi, D. Chenine, Mohammed Houari, M. Matougui, Samir BENTATA, Zoubir Aziz

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  14. First-principle calculations to investigate structural, electronic, optical, thermodynamic, and thermoelectric properties of ABO3 (A=Cs, Rb and B= Ta, Nb) compounds

    Emergent Materials · 2021-11-08

    Saadi Berri, N. Bouarissa

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  15. CsPd0.875Cr0.125I3 Promising Candidate for Thermoelectric Applications

    Ukrainian Journal of Physics · 2021-12-20

    Saadi Berri

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  16. Study on quaternary diamond-like Li2CaGeO4 properties for optoelectronic applications

    Computational Condensed Matter · 2022-01-15

    Saadi Berri, Rabie Amari, N. Bouarissa, Miloud Ibrir

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  17. Investigation of half-metallic ferromagnetism and transport properties of pnictide oxides REZnAsO (RE=La, Ce, Nd, Pr, Gd, Eu, Sm, Dy) for spintronics

    Computational Condensed Matter · 2022-07-21

    Saadi Berri, Dinesh C. Gupta, N. Bouarissa

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  18. Tailoring the Inherent Magnetism and Thermoelectric Response of Pyrochlore Oxide A2B2O7 (A = Er, B = Ru, Sn, Ge, Pt): A Computational Approach

    Journal of Superconductivity and Novel Magnetism · 2023-04-01

    Saadi Berri, Kulwinder Kaur, Dinesh C. Gupta, Shakeel Ahmad Sofi, Jaspal Singh, Marutheeswaran Srinivasan, Aadil Fayaz Wani, Ikram Un Nabi Lone

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  19. Electronic and thermoelectric properties of the 2D Cu2FeSnS4: DFT study

    Modern Physics Letters B · 2023-07-19

    Sara Asefirad, Bashir Nedaee-Shakarab, Seyed Mohammad Elahi, Arash Boochani, Hossien Akbari

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  20. Theoretical study on the microstructure and properties of Bi-Ti-O system

    Computational and Theoretical Chemistry · 2024-06-24

    Chenyu Wang, Jinhai Li, Zao Zeng, Yongpeng Wang, Tianhao Li, Xiaocan Li, Changxiong Luo

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  21. Promising photovoltaic, optoelectronic and p-type thermoelectric Sr4Pn2O (Pn = Sb, Bi) compounds: A first principles study

    Chemical Physics · 2024-06-29

    Mohamed Batouche, Taieb Seddik, W. Ouerghui, Houda Ben Abdallah, Oleg Yu Khyzhun, Tuan V. Vu, Dat Duy Vo

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  22. A systematic computational study of novel SrTrCu3Se4 (Tr = Al, Ga) direct band gap materials: Probing electronic, optical, and thermoelectric nature

    Chemical Physics Letters · 2024-07-14

    Abdelhay Salah Mohamed, Banat Gul, Muhammad Salman Khan, Bashir Ahmad, Ghlamallah Benabdellah, Hijaz Ahmad, Faheem Abbas

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

    Journal of Inorganic and Organometallic Polymers and Materials · 2024-07-14

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

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  24. Substitutional effect of Ti-based CZTS alloys with the effective spin-orbit coupling interaction: Ab initio GGA+U study

    Computational Materials Science · 2024-07-19

    N. Prudhvi Raju, Saurav Lahiri, R. Santosh, Rajalingam Thangavel

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  25. Tuning the essential physical properties of KTaO3 through sulfur, selenium doping, and oxygen vacancy: A first principle investigation

    Journal of Physics and Chemistry of Solids · 2024-07-22

    Muhammad Jawad, Amin Ur Rahman, Shafaat Hussain Mirza, Sikander Azam, Noor ul Amin, Mohammed A. Amin, Salah M. El‐Bahy

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  26. Exploring Novel Ba2MBiO6 (M = Sm, Tb) Oxide Double Perovskites Employing DFT

    Journal of Inorganic and Organometallic Polymers and Materials · 2024-07-27

    Nourreddine Sfina, Nasir Rahman, Soufyane Belhachi, Mudasser Husain, Bashar M. Al-khamiseh, Khamael Mohammed Abualnaja, Ghaida S. Alosaimi, Ahmed Azzouz‐Rached, Saeed Ullah, Amin ur Rashid, Rajwali Khan

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  27. Engineering the optoelectronic and thermoelectric properties of Cs2BiAgY6 (Y= Br or Cl) double perovskites through doping with iodine: A DFT study

    Journal of Physics and Chemistry of Solids · 2024-07-29

    Boutaina Akenoun, Smahane Dahbi, N. Tahiri, Omar El Bounagui, Hamid Ez-zahraouy A

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  28. Effects of applied pressure on structural, electronic, and optical properties of magnesium incorporated wurtzite beryllium oxide at different magnesium compositions

    Computational Condensed Matter · 2024-09-03

    Bimal Debnath, Subhendu Das, Sudip Debnath, Manish Debbarma, Surya Chattopadhyaya

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  29. Examining Magnetic Properties and Multiferroicity in the Isostructural Cu2TSiS4 (T = Mn and Fe) System Based on the DFT Approach and the Orbital Interaction Analysis

    Inorganic Chemistry · 2024-12-05

    Jong In Jo, Taesu Park, Ji Hoon Shim, Changhoon Lee

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  30. First-principles exploration of redox, electronic, thermoelectric, and thermodynamic properties of binary transition metal NaX1/3Mn2/3O2 (X = Ag, W, Zr) for enhanced performance of Na-ion batteries

    Inorganic Chemistry Communications · 2025-02-21

    Ahmad Usman, Ghulam Murtaza, Ahmad Ayyaz, Imed Boukhris, Hafiz Irfan Ali, M. Basit Shakir, Hanof Dawas Alkhaldi, Maryam Touqir, Thamraa M. Alshahrani, Muhammad Umair Ashraf

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  31. Band gap engineering and electronic structure of Cu2Ni(Sn,Ge,Si)Se4 kesterites: A DFT perspective on new earth-abundant semiconductors for high-performance photovoltaics

    Next Materials · 2025-06-02

    Iskandar Raufov, Dilshod Nematov, Saidjaafar Murodzoda, Anushervon Ashurov, Sakhidod Sattorzoda

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  32. Comprehensive study of the light-matter interactions, thermoelectric properties, and elastic features of quaternary materials

    Optical Materials Express · 2025-09-18

    Sharif Abu Alrub, Muhammad Salman Khan

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  33. Structural stability, large optical absorption, and high-performance thermoelectric transport in quaternary diamond-like K2VCuX4 (X = S, Te) semiconductors

    Computational Condensed Matter · 2026-08-07

    Saadi Berri, Ayache Mebarek Azzem, Çağatay Yamçıçıer, Sabah Chami

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  34. Diamond-like quaternary chalcogenides A2VAgS4 (A = K, Rb, Cs) as earth-abundant candidates for near-room-temperature thermoelectric waste-heat recovery: a first-principles study

    Computational Condensed Matter · 2026-09-29

    Saadi Berri, Ayache Mebarek Azzem, Çağatay Yamçıçıer, Sabah Chami

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  35. BaCu₃ScSe₄ and BaCu₃YSe₄ quaternary selenides: a first-principles exploration of mechanical, optical, and energy-conversion properties

    Chemical Physics · 2026-09-30

    Awais Siddique Saleemi, Naglaa AbdelAll, Abid Iqbal, Sohail Mumtaz, Ghada A. Khouqeer, G. Murtaza

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