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Ab initio prediction of the structural, optoelectronic and thermoelectric properties of double half-Heusler (DHH) ScXRh2Bi2 (X = Nb, Ta) alloys DFT study results

M. Boudjelal, K. Bouhadjer, M. Matougui, S. Bentata, V. Srivastata, S. Bin-Omran,R. Khenata

Indian Journal of Physicspp.1-14, (2024)

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Structural, Electronic, and Magnetic Characteristics of Co_1-xFe_xMnSb: Insight from DFT Computation

L. Boumia, F. Semari, M. Mokhtari, F. Dahmane,Mohammed S. Abu-Jafar, A. Boumaza,Muhammad Waqas Iqbal, H. Meradji,R. Khenata, S. Bin-Omran

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISMno. 1 (2024): 277-288

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Structural, Electronic, and Magnetic Characteristics of Co 1-x Fe x MnSb: Insight from DFT Computation

L. Boumia, F. Semari, M. Mokhtari,F. Dahmane,Mohammed S. Abu-Jafar, A. Boumaza,Muhammad Waqas Iqbal, H. Meradji,R. Khenata, S. Bin-Omran

Journal of Superconductivity and Novel Magnetismno. 1 (2024): 277-288

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First-principles prediction of optoelectronic and thermoelectric properties of novel materials A2PdCl6 for Photovoltaic Applications

S. N. Behilil, M. Harmel, N. Baki, Y. A. Khachai, R. Ahmed, M. Faizan, N. Badi,Mohammed S. Abu -Jafar,R. Khenata

COMPUTATIONAL CONDENSED MATTER (2024): e00869

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Theoretical investigations of Zr-concentration influence on the thermodynamic, elastic, electronic, and structural stability of D0₂₂/L1₂-Al₃Ti

R. Boulechfar, D. Sayad, Y. Khenioui,H. Meradji, S. Ghemid,R. Khenata, S. Bin-Omran, A. Bouhemadou,Souraya Goumri-Said

EUROPEAN PHYSICAL JOURNAL Bno. 1 (2024)

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Computational Investigation of the Structural, Elastic, Electronic, and Thermodynamic Properties of Chloroperovskites GaXCl3 (X = Be, Ca, or Sr) Using DFT Framework

Missoum Radjai,Saber Sâad Essaoud,Abdelmadjid Bouhemadou,Djamel Allali, Abdelhak Bedjaoui, Saad Bin-Omran,Rabah Khenata, Y. Al-Douri

Physica Scripta (2024)

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Structural, electronic, optical, elastic mechanical, thermodynamic, and thermoelectric properties of lead-free and environmentally friendly CsSnX3 (X = Cl, Br) perovskites

Y.A. Khachai, N. Baki,F. Chiker, H. Rozale,H. Khachai,A. Chahed, H. Bendjilali, W. Ahmed, S. Bin-Omran,R. Khenata

Physica B: Condensed Matterpp.415843, (2024)

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Theoretical insight on the electronic band structure, mechanical, vibrational and thermodynamic characteristic of antiperovskites RE3InN (RE=Y and La)

Debidatta Behera,Aparna Dixit,Binayaka Nahak,Anshuman Srivastava,Ramesh Sharma,R. Khenata, S. Bin-Omran,Shaimaa A.M. Abdelmohsen,Ashraf M.M. Abdelbacki,Sanat Kumar Mukherjee

Materials Today Communications（2023）

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Theoretical investigation of Ca0.75Cd0.25X (X = S, Se), a novel ternary alloy, in light of its structural, elastic, electronic, and optical properties

M.H. Gous,F. Chouit,H. Meradji, B. Boutarfa,A. Boumaza, S. Ghemid,R. Khenata

Computational Condensed Matter (2023): e00823-e00823

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Theoretical investigation of the structural, electronic, optical, and elastic properties of the zinc blende SiGe 1 − x Sn x ternary alloy

Rabah Moussa,Najet Baki, Fatiha Semari,Mohamed Kharroubi,Ahmed Abdiche,Rahima Boulechfar,Muhammad Waqas Iqbal,Souraya Goumri-Said,Ramesh Sharma,Saad Bin Omran,Hocine Meradji,Rabah Khenata

Optical and Quantum Electronicsno. 9 (2023): 1-24

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