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RESEARCH PAPER · Chinese Journal of Physics · 2023

Structural, optoelectronic, thermodynamic and thermoelectric properties of double half Heusler (DHH) Ti2FeNiSb2 and Ti2Ni2InSb compounds: A TB-mBJ study

K. Bouhadjer, M. Boudjelal, Mohamed MATOUGUI, Samir BENTATA, T. Lantri, Mohamed Batouche, Taieb Seddik, R. Khenata, Bouabdellah Bouadjemi, S. Bin Omran, Muhammad Waqas Iqbal, Mumtaz Manzoor

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Structural, optoelectronic, thermodynamic and thermoelectric properties of double half Heusler (DHH) Ti2FeNiSb2 and Ti2Ni2InSb compounds: A TB-mBJ studyOriginalTheoretical investigation of the physical, mechanical, and thermal properties of Zr2XBiNi2 (X: Al, Ga) double half-Heusler alloys20First-principles analysis of the structural, thermodynamic, elastic and thermoelectric properties of LuXCo2Sb2 (X = V, Nb and Ta) double half Heusler alloys10The structural, mechanical, phonon and pressure induced thermodynamic properties of X4Mg4H12 (X = Rb and Cs) for hydrogen storage applications via PBE-GGA and TB-mBJ potentials33Green Thermoelectric Materials and Nanocomposites2Double half Heusler (DHH) alloys with a high absorption coefficient shed light on the optoelectronic, thermoelectric, and structural, properties of X 4 Fe 2 Hf 4 Pt 2 (X = Bi, Sb), derived from DFT data analysis3First‐principles calculations to investigate electronic thermodynamic and optical properties of the RbScO2 alloy6Thermoelectric and Optoelectronic Properties of Rb2LiMoX6 (X = Br, I) Ferromagnets Using Density Functional Theory9Structural, electronic, magnetic and optical properties of GdCuX2 (X = S, Se and Te) compounds8Exploring the physical properties of the new MoX 6 (X = Cl or Br) materials1Density-functional theory based structural, mechanical, thermal, electronic, and thermoelectric properties of Zr2XNiSb2 (where X = Fe, Pd, Pt) double half-Heusler alloys6Unlocking the potential of FeNbGe Half Heusler: stability, electronic, magnetic and thermodynamic properties6Ab Initio Investigation of the Stability, Electronic, Mechanical, and Transport Properties of New Double Half Heusler Alloys Ti2Pt2ZSb (Z = Al, Ga, In)10Investigation of the structural, electronic, magnetic, and mechanical characteristics of double half-Heusler alloys V2Ni2Z′Z′′ (Z′ = Al, Ga and Z′′ = Sb, Sn) using ab initio computational methods5Advanced materials for next-generation devices: insights into the structural, optical, and thermoelectric properties of Hf2Pd2AlBi and Hf2Pd2AlSb alloys5Photocatalytic activity of nickel oxide nanoparticles synthesized via green route using Nigella sativa seed extract3Optimal thermoelectric performance of quaternary Heusler compounds LiScXSn (X = Pd, Pt): an ab-initio study1Comprehensive analysis of Mnx addition effects on the electronic, magnetic, thermodynamic, and optical properties of Zr2-xTcRhTe2 non-magnetic semiconductor double half-Heusler alloy0Physical trends and design principles in aliovalent double half-Heusler thermoelectrics from high-throughput computational screening0

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  1. Theoretical investigation of the physical, mechanical, and thermal properties of Zr2XBiNi2 (X: Al, Ga) double half-Heusler alloys

    Journal of materials research/Pratt's guide to venture capital sources · 2023-09-28

    Oukacha Douinat, Ahmed Boucherdoud, Abdelkarim Seghier, Mohammed Houari, Smain Mesbah, T. Lantri, Benaouda Bestani

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  2. First-principles analysis of the structural, thermodynamic, elastic and thermoelectric properties of LuXCo2Sb2 (X = V, Nb and Ta) double half Heusler alloys

    Inorganic Chemistry Communications · 2023-11-14

    Saber Sâad Essaoud, Abdelmadjid Bouhemadou, Missoum Radjai, Mohammed Elamin Ketfi, Djamel Allali, Saad Bin-Omran, Said Maabed

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  3. The structural, mechanical, phonon and pressure induced thermodynamic properties of X4Mg4H12 (X = Rb and Cs) for hydrogen storage applications via PBE-GGA and TB-mBJ potentials

    Materials Science and Engineering B · 2023-12-11

    Hafiz Hamid Raza, G. Murtaza, Zeesham Abbas, Samia Razzaq, Shahid Mahmood Ramay, Muhammad Irfan

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  4. Green Thermoelectric Materials and Nanocomposites

    Elsevier eBooks · 2024-04-09

    Rania Ramadan, Nabila Shehata, Abdul Hai Alami, Mohammad Ali Abdelkareem, Abdul Ghani Olabi

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  5. Double half Heusler (DHH) alloys with a high absorption coefficient shed light on the optoelectronic, thermoelectric, and structural, properties of X 4 Fe 2 Hf 4 Pt 2 (X = Bi, Sb), derived from DFT data analysis

    Molecular Physics · 2024-05-02

    K. Bouhadjer, M. Boudjelal, Mohamed MATOUGUI, Mohamed Batouche, Samir BENTATA, R. Khenata, Waleed Khalil Ahmed, Saad Bin-Omran

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  6. First‐principles calculations to investigate electronic thermodynamic and optical properties of the RbScO2 alloy

    Vietnam Journal of Chemistry · 2024-08-27

    Soukaina Dahri, A. Jabar, L. Bahmad, L.B. Drissi, Rachid Ahl Laamara

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  7. Thermoelectric and Optoelectronic Properties of Rb2LiMoX6 (X = Br, I) Ferromagnets Using Density Functional Theory

    Journal of Inorganic and Organometallic Polymers and Materials · 2024-09-03

    Qiong Peng, Aftab Farrukh, Muhammad Sajid, Jahangir Abbas, Nasarullah, Aboud Ahmed Awadh Bahajjaj, Mubashir Nazar, Javed Rehman

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  8. Structural, electronic, magnetic and optical properties of GdCuX2 (X = S, Se and Te) compounds

    Optical and Quantum Electronics · 2024-10-12

    Aman Kumar, Rahul Kumar, Rahul Kumar, Deepti Saxena, Vivek Kumar Nautiyal, Anuj Kumar, Anuj Kumar, Nazia Iram

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  9. Exploring the physical properties of the new MoX 6 (X = Cl or Br) materials

    Physical Chemistry Chemical Physics · 2025-01-01

    A. Jabar, N. Maaouni, Safae Benyoussef, L. Bahmad

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  10. Density-functional theory based structural, mechanical, thermal, electronic, and thermoelectric properties of Zr2XNiSb2 (where X = Fe, Pd, Pt) double half-Heusler alloys

    Physica B Condensed Matter · 2025-01-11

    Ummay Kalsoom, Ambreen Kalsoom, Altaf Hussain, Muhammad Amir Rafiq, Misbah Mirza, Waseem Akhtar Qureshi, Maha Tariq, Zahida Batool, Mehrun Nisa

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  11. Unlocking the potential of FeNbGe Half Heusler: stability, electronic, magnetic and thermodynamic properties

    Zeitschrift für Physikalische Chemie · 2025-02-05

    Hannah Jeniffer I., Mahalakshmi Ponniah, Sudharsan Balasubramanian, N. Punithavelan, Saravanan Sundaram, Yordanos Abay Lema, M. Srinivasan

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  12. Ab Initio Investigation of the Stability, Electronic, Mechanical, and Transport Properties of New Double Half Heusler Alloys Ti2Pt2ZSb (Z = Al, Ga, In)

    Metals · 2025-03-18

    Nurgul S. Soltanbek, N. A. Merali, Nursultan E. Sagatov, Fatima U. Abuova, Edgars Elsts, Aisulu U. Abuova, Vladimir V. Khovaylo, Talgat M. Inerbaev, Marina Koņuhova, Anatoli I. Popov

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  13. Investigation of the structural, electronic, magnetic, and mechanical characteristics of double half-Heusler alloys V2Ni2Z′Z′′ (Z′ = Al, Ga and Z′′ = Sb, Sn) using ab initio computational methods

    Journal of Applied Physics · 2025-05-08

    N. A. Merali, Nurgul S. Soltanbek, Nursultan E. Sagatov, Aisulu U. Abuova, Vladimir V. Khovaylo, Fatima U. Abuova, Talgat M. Inerbaev

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  14. Advanced materials for next-generation devices: insights into the structural, optical, and thermoelectric properties of Hf2Pd2AlBi and Hf2Pd2AlSb alloys

    Indian Journal of Physics · 2025-06-02

    Abdelhak Khatar, Mohammed Houari, T. Lantri, Samir BENTATA, Bouabdellah Bouadjemi, Zoubir Aziz, Ahmed Boucherdoud, Mokhtar Boudjelal

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  15. Photocatalytic activity of nickel oxide nanoparticles synthesized via green route using Nigella sativa seed extract

    Journal of the Iranian Chemical Society · 2026-02-28

    Anam Ashraf, Shaista Ali, Zohaib Saeed, Muhammad Ali Pervaiz, Umer Younas, Abid Mehmood, Osama A. Mohammed, Rana Rashad Mahmood Khan, Ayyar Manikandan, Munawar Iqbal

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  16. Optimal thermoelectric performance of quaternary Heusler compounds LiScXSn (X = Pd, Pt): an ab-initio study

    Indian Journal of Physics · 2026-03-19

    A. Messaoudi, Mohamed MATOUGUI, S. Haid, Bouabdellah Bouadjemi, Abdelhak Khatar, Soumia Benchikh, Heythem Bentahar, Mohammed Houari, T. Lantri, Samir BENTATA

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  17. Comprehensive analysis of Mnx addition effects on the electronic, magnetic, thermodynamic, and optical properties of Zr2-xTcRhTe2 non-magnetic semiconductor double half-Heusler alloy

    Journal of Physics and Chemistry of Solids · 2026-06-05

    Meryem Yurt, Wisam Ayad Ahmed Ahmed, Evren Görkem Özdemir

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  18. Physical trends and design principles in aliovalent double half-Heusler thermoelectrics from high-throughput computational screening

    Physical review. B./Physical review. B · 2026-08-20

    Anonymous, V. V. Sokolovskiy, Sergey V. Taskaev

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