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RESEARCH PAPER · Solid State Sciences · 2017

Structural, elastic, electronic and optical properties of the novel quaternary diamond-like semiconductors Cu2MgSiS4 and Cu2MgGeS4

Abdelhak Bedjaoui, Abdelmadjid Bouhemadou, S. Aloumi, R. Khenata, Saad Bin-Omran, Yarub Al-Douri, Fatma Saad Saoud, S. Bensalem

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Structural, elastic, electronic and optical properties of the novel quaternary diamond-like semiconductors Cu2MgSiS4 and Cu2MgGeS4OriginalStructural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba)35Stability and elasticity of metastable solid solutions and superlattices in the MoN–TaN system: First-principles calculations38TlInGe2S6, A Prospective Nonlinear Optical Material: First-Principles DFT Calculations of the Electronic Structure and Optical Properties14Calculations within DFT framework of the electronic and optical properties of quaternary sulfide Tl2PbSiS4, a prospective optoelectronic semiconductor9Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS41Elastic, electronic, chemical bonding and thermodynamic properties of the ternary nitride Ca4TiN4: Ab initio predictions7Facile synthesis of CuxZn1−xFe2O4 nanoparticles and their thermo-physical properties evaluation7Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe462Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)34New equiatomic quaternary Heusler compounds without transition metals KCaBX (X = S and Se): Robust half-metallicity and optical properties12Theoretical Investigation of BGaAs/GaAs for Optoelectronic Device Applications9First-principles predictions of the structural, electronic, optical and elastic properties of the zintl-phases AE3GaAs3 (AE = Sr, Ba)161First principle calculations of structural, elastic, electronic and optical properties of cubic Cd1--Zn Hg Te triangular quaternary alloys and their compounds4Density functional theory studies of structural, electronic and optical properties of cubic 3d-transition metal nitrides22Electronic and optical properties of ZnSe by theoretical simulation TB-mBJ (Tran-Blaha modified Becke Johnson) associated to analysis techniques XPS (X-Ray Photoelectron Spectroscopy); REELS (Reflective Electron Energy Loss Spectroscopy) and PLS (Photoluminescence Spectroscopy)19First-principle calculations to investigate structural, electronic and optical properties of MgHfS319Structural investigation of Cu doped calcium ferrite (Ca1-xCuxFe2O4; x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials prepared by co-precipitation method38Structural, elastic, electronic and optical properties of the newly synthesized selenides Tl2CdXSe4 (X = Ge, Sn)11Electronic, mechanical, optical and thermodynamic properties of the quaternary semiconductors Sr3GeMgN4 and Ba3GeMgN41Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold39Exploration of novel structures and related physical properties of Fe2Pt ordered alloys7Insight into the electronic, optical, and transport properties of novel BaLaCuX3 (X = S, Se, and Te) quaternary chalcogenides17First-principles study of electronic, optical, and thermoelectric properties of KMCuS 3 (M = Th and Sm) quaternary chalcogenides3First-principles study of the electronic structure, optical, thermodynamic, and thermoelectric nature in MgACu3Se4 (A = Sc, Y) semiconductors22Unveiling the physical properties of RbCu3MSe4 (M = Si, Ge) direct band gap semiconductors: A systematic first-principles study5A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties16Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of GaMF3 (M = Ca, and Sr) halide perovskites23Electronic and optical characteristics of CaLiX3 (X = Cl, Br, I) perovskite compounds using the Tran–Blaha modified Becke–Johnson potential16DFT based computational investigations of the physical properties of chalcogenide perovskites CsXS3 (X=P, Ta) for optoelectronic and photovoltaic applications20Exploring the functional properties of the diamond-like quaternary compound Li 2 ZnGeS 4 for potential energy applications: a theoretical approach2Systematic Exploration of Electronic, Optical, and Thermoelectric Properties of SrCuXF (X = S, Se) Materials: Employing First-Principles Calculations3The optoelectronic and thermoelectric properties of PrTl2InX4 (X = Se, Te) chalcogenides: For energy harvesting applications4Strain-engineered indirect-to-direct band gap transition, photocatalytic water splitting activity, and optical responses in ACuGa 6 S 10 (A = Rb and Cs)0

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  1. Structural, elastic, electronic, optical and thermoelectric properties of the Zintl-phase Ae3AlAs3 (Ae = Sr, Ba)

    The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2018-01-19

    A. Benahmed, Abdelmadjid Bouhemadou, Bander H. AlQarni, Nacir Guechi, Yarub Al-Douri, R. Khenata, Saad Bin-Omran

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  2. Stability and elasticity of metastable solid solutions and superlattices in the MoN–TaN system: First-principles calculations

    Materials & Design · 2018-02-14

    Nikola Koutná, David Holec, Martin Friák, P.H. Mayrhofer, Mojmı́r Šob

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  3. TlInGe2S6, A Prospective Nonlinear Optical Material: First-Principles DFT Calculations of the Electronic Structure and Optical Properties

    Journal of Electronic Materials · 2018-06-28

    Tuan V. Vu, Anatoliy A. Lavrentyev, B.V. Gabrelian, O.V. Parasyuk, Oleg Yu Khyzhun

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  4. Calculations within DFT framework of the electronic and optical properties of quaternary sulfide Tl2PbSiS4, a prospective optoelectronic semiconductor

    Computational Condensed Matter · 2019-04-30

    Tuan V. Vu, Anatoliy A. Lavrentyev, B.V. Gabrelian, Hien Duy Tong, O.V. Parasyuk, Oleg Yu Khyzhun

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  5. Density Functional Theory Investigations of the Optoelectronic Properties of Li2MnGeS4 and Li2CoSnS4

    SPIN · 2019-05-31

    Sikander Azam, Mamoona Mahboob, Sobia Ali, Malika Rani, Muhammad Irfan, Xiaotian Wang, Saleem Ayaz Khan, Mohammed Benali Kanoun, Souraya Goumri‐Said

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  6. Elastic, electronic, chemical bonding and thermodynamic properties of the ternary nitride Ca4TiN4: Ab initio predictions

    Journal of Molecular Graphics and Modelling · 2019-07-17

    S. Boucenna, Khelifa Haddadi, Abdelmadjid Bouhemadou, Layachi Louail, F. Soyalp, R. Khenata

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  7. Facile synthesis of CuxZn1−xFe2O4 nanoparticles and their thermo-physical properties evaluation

    Applied Physics A · 2019-08-16

    Tareq Manzoor, Tariq Javed, Ghulam Mustafa, Habib Ullah Manzoor, Abdul Razzaq

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  8. 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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  9. Ab initio prediction of the elastic, electronic and optical properties of a new family of diamond-like semiconductors, Li2HgMS4 (M = Si, Ge and Sn)

    Journal of Alloys and Compounds · 2020-06-10

    S. Alnujaim, Abdelmadjid Bouhemadou, Abdelhak Bedjaoui, Saad Bin-Omran, Yarub Al-Douri, R. Khenata, Said Maabed

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  10. New equiatomic quaternary Heusler compounds without transition metals KCaBX (X = S and Se): Robust half-metallicity and optical properties

    Journal of Molecular Graphics and Modelling · 2020-06-20

    D.M. Hoat, Duc‐Quang Hoang, Mosayeb Naseri, Rodrigo Ponce-Pérez, NguyenT.T. Binh, Juan Francisco Rivas-Silva, Gregorio H. Cocoletzi

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  11. Theoretical Investigation of BGaAs/GaAs for Optoelectronic Device Applications

    Journal of Electronic Materials · 2020-08-14

    Arvind Sharma

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  12. First-principles predictions of the structural, electronic, optical and elastic properties of the zintl-phases AE3GaAs3 (AE = Sr, Ba)

    Solid State Sciences · 2021-02-16

    Ahlem Khireddine, Abdelmadjid Bouhemadou, S. Alnujaim, Nacir Guechi, Saad Bin-Omran, Yarub Al-Douri, R. Khenata, Said Maabed, A.K. Kushwaha

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  13. First principle calculations of structural, elastic, electronic and optical properties of cubic Cd1--Zn Hg Te triangular quaternary alloys and their compounds

    Physica B Condensed Matter · 2021-04-05

    Sayantika Chanda, Manish Debbarma, Debankita Ghosh, Bimal Debnath, Surya Chattopadhyaya

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  14. Density functional theory studies of structural, electronic and optical properties of cubic 3d-transition metal nitrides

    Intermetallics · 2021-07-07

    Bhila Oliver Mnisi, E. M. Benecha, M. M. Tibane

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  15. Electronic and optical properties of ZnSe by theoretical simulation TB-mBJ (Tran-Blaha modified Becke Johnson) associated to analysis techniques XPS (X-Ray Photoelectron Spectroscopy); REELS (Reflective Electron Energy Loss Spectroscopy) and PLS (Photoluminescence Spectroscopy)

    Applied Surface Science · 2021-07-21

    Mohamed Salah Halati, Halima Benchenane, M’hammed Bouslama, Azzeddine Mokadem, A. Ouerdane, Abdelhak Bedjaoui, Abdelmadjid Bouhemadou, M’hamed Guezzoul, Bachir Kharroubi, Mahfoud Abdelkrim, Kadda Benmohktar Bensassi, Abdelhak Baizid

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  16. First-principle calculations to investigate structural, electronic and optical properties of MgHfS3

    Materials Science and Engineering B · 2021-09-16

    Rilwan O. Balogun, Muteeu Abayomi Olopade, Olusola Oyebola, Adeyinka David Adewoyin

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  17. Structural investigation of Cu doped calcium ferrite (Ca1-xCuxFe2O4; x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials prepared by co-precipitation method

    Journal of Materials Research and Technology · 2022-02-28

    T. L. Ajeesha, Ayyar Manikandan, Ashwini Anantharaman, Sagaya Jansi, M. Durka, Munirah Abdullah Almessiere, Y. Slimani, Abdulhadi BAYKAL, A.M. Asiri, Heba A. Kashmery, Anish Khan, Anish Khan, Madhu Puttegowda, Mary George

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  18. Structural, elastic, electronic and optical properties of the newly synthesized selenides Tl2CdXSe4 (X = Ge, Sn)

    The European Physical Journal B · 2022-03-01

    S. Karkour, Abdelmadjid Bouhemadou, Djamel Allali, Khelifa Haddadi, Saad Bin-Omran, R. Khenata, Yarub Al-Douri, Abdelhak Ferhat Hamida, Ahmadi Mohammad Hadi, Alaa Farag Abd El-Rehim

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  19. Electronic, mechanical, optical and thermodynamic properties of the quaternary semiconductors Sr3GeMgN4 and Ba3GeMgN4

    Materials Science and Engineering B · 2023-02-07

    F. Djeghloul, Youcef Medkour, M. Kharoubi, N. Bouarissa, A. Roumili

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  20. Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold

    Advanced Optical Materials · 2023-05-17

    Jiazheng Zhou, Linan Wang, Yu Chu, Hongshan Wang, Shilie Pan, Junjie Li

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  21. Exploration of novel structures and related physical properties of Fe2Pt ordered alloys

    Solid State Sciences · 2023-11-18

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  22. Insight into the electronic, optical, and transport properties of novel BaLaCuX3 (X = S, Se, and Te) quaternary chalcogenides

    Journal of Solid State Chemistry · 2023-12-10

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  23. First-principles study of electronic, optical, and thermoelectric properties of KMCuS 3 (M = Th and Sm) quaternary chalcogenides

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  24. First-principles study of the electronic structure, optical, thermodynamic, and thermoelectric nature in MgACu3Se4 (A = Sc, Y) semiconductors

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  25. Unveiling the physical properties of RbCu3MSe4 (M = Si, Ge) direct band gap semiconductors: A systematic first-principles study

    Materials Science in Semiconductor Processing · 2024-03-25

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  26. A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties

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  27. Ab initio predictions of pressure-dependent structural, elastic, and thermodynamic properties of GaMF3 (M = Ca, and Sr) halide perovskites

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  28. Electronic and optical characteristics of CaLiX3 (X = Cl, Br, I) perovskite compounds using the Tran–Blaha modified Becke–Johnson potential

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  29. DFT based computational investigations of the physical properties of chalcogenide perovskites CsXS3 (X=P, Ta) for optoelectronic and photovoltaic applications

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  30. Exploring the functional properties of the diamond-like quaternary compound Li 2 ZnGeS 4 for potential energy applications: a theoretical approach

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  32. The optoelectronic and thermoelectric properties of PrTl2InX4 (X = Se, Te) chalcogenides: For energy harvesting applications

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