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RESEARCH PAPER · Materials Science in Semiconductor Processing · 2023

Electronic, magnetic and transport properties of anti-ferromagnetic semiconductor BaGd2X4(X S, Se)

Xiao-Ping Wei, Lan-Lan Du, Jing Shen, Zi‐Qi Sun, Zi‐Meng Zhang, Wen‐Li Chang, Xiaoma Tao

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Electronic, magnetic and transport properties of anti-ferromagnetic semiconductor BaGd2X4(X S, Se)OriginalStudy of ferromagnetism, and thermoelectric behavior of double perovskites K2Z(Cl/Br)6 (Z = Ta, W, Re) for spintronic, and energy application8Band gap engineering in lead free halide cubic perovskites GaGeX 3 (X = Cl, Br, and I) based on first-principles calculations61First principle study of scandium-based novel ternary half Heusler ScXGe (X = Mn and Fe) alloys: insight into the spin-polarized structural, electronic, and magnetic properties40Two-dimensional Be 2 P 4 as a promising thermoelectric material and anode for Na/K-ion batteries7A Computational exploration of the electronic, mechanical, and magnetic properties of Co2A1−xBxAl full heusler alloys (A, B = Cr, Mn, and Fe)12Comprehensive investigation of half Heusler alloy: Unveiling structural, electronic, magnetic, mechanical, thermodynamic, and transport properties63Structural, electronic, magnetic and thermodynamic properties of ZrCoTiX (X = Ga and Sn) alloys0Electronic, magnetic, elastic and optical properties of Ba2CoTaO6 double perovskite oxide: A DFT study28Exploring the electronic, optical, and thermoelectric features of BaXCu 3 Se 4 (X = In, Tl) quaternary chalcogenides: first-principles study10Study of Half Metallic Ferromagnetism and Thermoelectric Properties of the Spinels MgCo2(S/Se)4 for Spintronic and Energy Harvesting5Physical properties of novel double perovskite oxides Ba2AlXO6(X = Nb, Ta) by first-principle calculations26Electronic and optical properties of Cr-Mn co-doped in monolayer MoS2: A first-principles study4Half-metallicity and thermoelectric performance: A multifaceted investigation of Zr-based half-Heusler alloys23Quantum spin Hall states in MX 2 (M = Ru, Os; X = As, Sb) monolayers1First-principles calculations to investigate structural, electronic, magnetic mechanical, and thermal properties of half-Heusler alloys CoYGe (Y = Mn, Fe): using GGA and GGA+U potentials2Multi-valley band and low thermal conductivity in two-dimensional Mg3Bi2 mono layer: A method for improving thermoelectric performance of Mg3Bi2 based on First-principles calculations5NiVX (X=Si & Ge) Heuslerene: A ferromagnetic semiconductor for thermoelectric and spintronics applications through DFT study2Studying the Structural, Electronic, and Magnetic Properties of Co 2 CrGa 1 − x Al x Full Heusler Alloys Through Density Functional Theory and Monte Carlo Simulation12MoSe2/BP heterobilayers with vacancy defects enhancing photovoltaic properties: A first-principles study1Exploring the structural,electronic, elastic and thermodynamic properties of TM5Sn2Si (TM=Nb, Cr, W, Mo, Ti, Re) based on first-principles calculations0Exploring the structural, electronic, mechanical, and thermodynamic properties of X2CuIO6 (X = Sr, Ba) double perovskites via first-principles calculations23Computational investigation of Co2HfZ (Z = Pb, Bi, As) full Heusler alloys: Structural, electronic, magnetic, and optical aspects3Naturally occurring 2D semiconductor with antiferromagnetic ground state5First‐principles study of the novel two-dimensional monolayer VAl2S4 with half-metallic properties3Study of structural, electronic, magnetic, and transport properties of Sr2XMoO6 (X = Cr, Mn) for spintronic and energy harvesting0Effect of biaxial strain and carrier doping on intrinsic valley polarization in 2H-RuCl 2 Monolayer1First-principles investigation of half-metallic ferromagnetism and optical properties of magnesium-based Mg(Fe/Mn) 2 O 4 spinels for spintronic and clean energy4First-Principles Investigation of the Influence of Disorder on Electronic and Magnetic Properties in CoFeMnAl Quaternary Heusler Alloys4Study of room temperature ferromagnetism, mechanical, thermodynamic, and thermoelectric aspects of BePr2X4 (X = S, Se, Te) for spintronic and energy devices2Hidden fully-compensated ferrimagnetism10Comprehensive analysis of half-metallic, mechanical, electronic, thermodynamic, and optical properties of single perovskites LiCrZ3 (Z = Cl, Br, I)1First principles study of the structural, electronic and magnetic properties of full-Heusler rare earth-based alloys Pr2RhZ (Z=Al, Ga and In)0A computational study of thermoelectric conversion in the PbSexTe1−x semiconductor alloys0First-principles investigations on the structure, mechanical and thermal properties of Hf6(Ta1-xNbx)2O17 (x = 1/8, 2/8, 3/8, 4/8)0Investigation of half metallic ferromagnetism, and thermoelectric aspect of rare earth chalcogenides BaCe2X4 (X = S, Se, Te) for spintronic applications0Electronic transport and thermoelectric properties of monolayer XSi2N4 (X=W, Mo) nanodevices0

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  1. Study of ferromagnetism, and thermoelectric behavior of double perovskites K2Z(Cl/Br)6 (Z = Ta, W, Re) for spintronic, and energy application

    Journal of Physics and Chemistry of Solids · 2023-11-30

    Qasim Mahmood, Farhat Iqbal, Tahani H. Flemban, Eman Algrafy, Hind Althib, Mohammad Ashiq, Murefah mana Al‐Anazy, Hamid Ullah, Amani Rached, Tahani M. Alqahtani, El Sayed Yousef, Taher Ghrib

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  2. Band gap engineering in lead free halide cubic perovskites GaGeX 3 (X = Cl, Br, and I) based on first-principles calculations

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    Md. Amran Sarker, Md Mehedi Hasan, Md. Al Momin, Ahmad Irfan, Md. Rasidul Islam, Ahmed Sharif

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    Hayat Ullah, Sadia Yasin, Kashif Safeen, Adeel Younus, Zeinhom Mohamed El-Bahy, Akif Safeen, Safaa N. Abdou, Mohamed M. Ibrahim

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  4. Two-dimensional Be 2 P 4 as a promising thermoelectric material and anode for Na/K-ion batteries

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  5. A Computational exploration of the electronic, mechanical, and magnetic properties of Co2A1−xBxAl full heusler alloys (A, B = Cr, Mn, and Fe)

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    Bilal Aladerah, Abdalla A. Obeidat, Khaled Aledealat

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  6. Comprehensive investigation of half Heusler alloy: Unveiling structural, electronic, magnetic, mechanical, thermodynamic, and transport properties

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  7. Structural, electronic, magnetic and thermodynamic properties of ZrCoTiX (X = Ga and Sn) alloys

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    Deepak Kumar Meena, Anuradha, Sunil Kumawat, Kuntal Kabra, Gunjan Arora

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  8. Electronic, magnetic, elastic and optical properties of Ba2CoTaO6 double perovskite oxide: A DFT study

    Journal of Magnetism and Magnetic Materials · 2024-05-24

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  9. Exploring the electronic, optical, and thermoelectric features of BaXCu 3 Se 4 (X = In, Tl) quaternary chalcogenides: first-principles study

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

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  10. Study of Half Metallic Ferromagnetism and Thermoelectric Properties of the Spinels MgCo2(S/Se)4 for Spintronic and Energy Harvesting

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    Nessrin Awadhallah Kattan, Syed Awais Rouf, Hanof Dawas Alkhaldi, Muhammad Hassan, Samah Al‐Qaisi, Abdulaziz I. Aljameel, Hind Mohammed Albalawi, Imed Boukhris, Qasim Mahmood, Umair Mumtaz

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  11. Physical properties of novel double perovskite oxides Ba2AlXO6(X = Nb, Ta) by first-principle calculations

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  12. Electronic and optical properties of Cr-Mn co-doped in monolayer MoS2: A first-principles study

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  13. Half-metallicity and thermoelectric performance: A multifaceted investigation of Zr-based half-Heusler alloys

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  14. Quantum spin Hall states in MX 2 (M = Ru, Os; X = As, Sb) monolayers

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    Tao Jing, Dongmei Liang, Yong‐Chen Xiong, Jun Zhang, Yongjin Hu, Qin Zhang, Dong-Yan Lv, Zhi He, Mingsen Deng

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  15. First-principles calculations to investigate structural, electronic, magnetic mechanical, and thermal properties of half-Heusler alloys CoYGe (Y = Mn, Fe): using GGA and GGA+U potentials

    Journal of the Korean Ceramic Society · 2024-11-25

    Y. Toual, S. Mouchou, Upasana Rani, Abdelouahid Azouaoui, Ahmed Hourmatallah, Rachid Masrour, A. Rezzouk, Khalid Bouslykhane, Najib Benzakour

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  16. Multi-valley band and low thermal conductivity in two-dimensional Mg3Bi2 mono layer: A method for improving thermoelectric performance of Mg3Bi2 based on First-principles calculations

    Physica B Condensed Matter · 2024-12-11

    Zhaoyang Liu, Guobin Ma, Saifang Huang, Yanyan Yuan, Rui Lan

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  17. NiVX (X=Si & Ge) Heuslerene: A ferromagnetic semiconductor for thermoelectric and spintronics applications through DFT study

    Journal of Physics and Chemistry of Solids · 2025-01-13

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  18. Studying the Structural, Electronic, and Magnetic Properties of Co 2 CrGa 1 − x Al x Full Heusler Alloys Through Density Functional Theory and Monte Carlo Simulation

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  19. MoSe2/BP heterobilayers with vacancy defects enhancing photovoltaic properties: A first-principles study

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    Linjun Xu, Qingquan Xiao, Jianfeng Ye, Yao Hua Zhu, Quan Xie

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  20. Exploring the structural,electronic, elastic and thermodynamic properties of TM5Sn2Si (TM=Nb, Cr, W, Mo, Ti, Re) based on first-principles calculations

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  21. Exploring the structural, electronic, mechanical, and thermodynamic properties of X2CuIO6 (X = Sr, Ba) double perovskites via first-principles calculations

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  24. First‐principles study of the novel two-dimensional monolayer VAl2S4 with half-metallic properties

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

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  31. Comprehensive analysis of half-metallic, mechanical, electronic, thermodynamic, and optical properties of single perovskites LiCrZ3 (Z = Cl, Br, I)

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  32. First principles study of the structural, electronic and magnetic properties of full-Heusler rare earth-based alloys Pr2RhZ (Z=Al, Ga and In)

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  34. First-principles investigations on the structure, mechanical and thermal properties of Hf6(Ta1-xNbx)2O17 (x = 1/8, 2/8, 3/8, 4/8)

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  35. Investigation of half metallic ferromagnetism, and thermoelectric aspect of rare earth chalcogenides BaCe2X4 (X = S, Se, Te) for spintronic applications

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