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RESEARCH PAPER · International Journal of Thermophysics · 2020

Thermoelectric and Piezoelectric Properties in Half-Heusler Compounds TaXSn (X = Co, Rh and Ir) Based on Ab Initio Calculations

Z. A. A. R. Almaghbash, Omar Arbouche, Ameur Dahani, Abdelhamid Cherifi, M. Belabbas, Abdeldjelil Amara Zenati, Hanifi Mebarki, A. Hussain

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Thermoelectric and Piezoelectric Properties in Half-Heusler Compounds TaXSn (X = Co, Rh and Ir) Based on Ab Initio CalculationsOriginalInvestigation of Electronic and Thermoelectric Properties of Bulk and [001] Thin Film Structures of Half-Heusler Compound TiNiSn: A DFT Study6Effect of Pressure on Mechanical and Thermal Properties of SnSe25Strong half-metallic ferromagnetism and thermoelectric response in new half-Heusler RbCrX (X = Sb, As) alloys: first-principles calculations8Investigation of the Structural, Electronic, Elastic, Thermodynamic, and Thermoelectric Properties of HfXPb (X = Ni, Pd, Pt): First-Principles Study5Enhanced thermoelectric performance from bulk to monolayer BiSbS3 from first principle study9Thermoelectric properties and thermal stability of ferromagnetic half metallic CoVTe alloy, first principles study1First-principles calculations to investigate strong half-metallic ferromagnetic and thermoelectric sensibility of LiCrX (X = S, Se, and Te) alloys32Design of Heusler Alloys from Co, Ta, and Sn Atoms within Ab Initio Study of Their Wyckoff Positions for Thermoelectric Applications1Enhancement of thermoelectric performances in n-type RbCrZ (Z = S, Se, Te) half-metallic ferromagnetic alloys via charge carrier concentration or chemical potential26First-Principle Calculations to Investigate the Elastic, Thermoelectric, and Electronic Performances of XRhSn (X = V, Nb, Ta) Half-Heusler Compounds4Thermoelectric Properties Investigation of Ni/Co Doped ZrCoBi Half-Heusler Alloy1The first-principles examination of the structural, electronic, elastic, phonon, and thermoelectric properties of Cubic LiXN (X = Be, Mg, Zn)5Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications10Thermoelectric performance of cadmium-based LiCdX (X = N, P, As, Sb and Bi)-filled tetrahedral semiconductors: applications in green energy resources44Role of volume change on the physics of thermoelectric half-Heusler compounds9Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications0First Principle Investigations on Structural, Mechanical, Electronic, And Thermoelectric Properties of XCoP (XTi, Zr, Hf) Half Heusler Alloys for Energy Recovery Application24Optoelectronics and thermoelectric performances in CuX (X = F, Cl, Br, and I)1Doping and Pressure Effects on Yttrium Hydrogen Selenide2Structural, Electronic, Mechanical and Optical Properties of RhZrZ (Z = As, Sb) Half‐Heusler Compounds: First‐Principles Calculations7First-principles calculations to investigate structural, electronic, magnetic, thermodynamic, and thermoelectric properties of RbSrZ (Z = Ge and Sn) d-d half-Heuslers for renewable energy applications10Enhancing the thermoelectric performance of BiGa2X4 (X=S, Se) P-type semiconductors by optimizing charge carrier concentration or chemical potentials4Exploring the structural, electronic, elastic, optical and thermoelectric properties of silver-based half-Heusler semiconductors AgYTe (Y = Li, Na, and K)13Investigation of the structural, mechanical, anisotropic, thermal conductivity, electronic, and phonon properties of RhTiZ(Z: As, sb) half heusler compounds under high pressure: A DFT study0KCaAs and KCaP: promising half-Heusler compounds for UV protection and thermoelectric applications5Unveiling half-metallic, thermoelectric and optoelectronic behavior of the new Heusler alloy RbCrZ (Z = Si, Ge): a DFT perspective6Theoretical study of structural, electronic, optical, thermoelectric and photovoltaic properties of chalcopyrite semiconductors AgGaTe2 and AgGaSe2 compounds for photocatalytic CO2 reduction9Piezoelectricity in half-Heusler narrow-bandgap semiconductors32First principles electronic structure, magnetic, thermoelectric and optical properties of ferrimagnetic half-heusler compound TaMnX (X = Si,Ge): A DFT+U study0

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  1. Investigation of Electronic and Thermoelectric Properties of Bulk and [001] Thin Film Structures of Half-Heusler Compound TiNiSn: A DFT Study

    International Journal of Thermophysics · 2021-03-29

    N. Salimi, Arash Boochani, Seyed Mohammad Elahi, Z. Ghoran Nevis

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  2. Effect of Pressure on Mechanical and Thermal Properties of SnSe2

    International Journal of Thermophysics · 2021-07-27

    Y. Javed, Sikander Majid Mirza, Muhammad Aftab Rafiq

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  3. Strong half-metallic ferromagnetism and thermoelectric response in new half-Heusler RbCrX (X = Sb, As) alloys: first-principles calculations

    Indian Journal of Physics · 2021-10-13

    Y. Bouldiab, Sabria Terkhi, Mohamed Cherif Terkhi, Fatima Bendahma, Zoubir Aziz, Rachida Bentata, O. Youb, Mohammed Amine Boudjeltia, Boucif Abbar

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  4. Investigation of the Structural, Electronic, Elastic, Thermodynamic, and Thermoelectric Properties of HfXPb (X = Ni, Pd, Pt): First-Principles Study

    Journal of Electronic Materials · 2022-03-02

    Azziz Zenati, Omar Arbouche, Fouzia Boukabrine, Hanifi Mebarki, Yahia Azzaz, Noureddine Moulay, M. Rabah

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  5. Enhanced thermoelectric performance from bulk to monolayer BiSbS3 from first principle study

    Computational Materials Science · 2022-05-11

    Bin Xu, Shaoheng Yuan, Xinyu Liu, Shanshan Ma, Jing Zhang, Yusheng Wang, Jifang Li, Zihua Gu, Lin Yi

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  6. Thermoelectric properties and thermal stability of ferromagnetic half metallic CoVTe alloy, first principles study

    The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2022-06-23

    T. Djaafri, A. Djaafri, A. Bendjedid, F. Saadaoui, K. Hamada, Khedidja Korichi, Khelifa Berriah

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  7. First-principles calculations to investigate strong half-metallic ferromagnetic and thermoelectric sensibility of LiCrX (X = S, Se, and Te) alloys

    Journal of Magnetism and Magnetic Materials · 2022-08-17

    Ahmad Telfah, Torkia Ghellab, Hakim Baaziz, Zoulikha Charifi, Ahmad Mohammad Alsaad, Renat F Sabirianov

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  8. Design of Heusler Alloys from Co, Ta, and Sn Atoms within Ab Initio Study of Their Wyckoff Positions for Thermoelectric Applications

    SSRN Electronic Journal · 2023-01-01

    ALAN Antônio das Graças SANTOS, Pablo D. Borges

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  9. Enhancement of thermoelectric performances in n-type RbCrZ (Z = S, Se, Te) half-metallic ferromagnetic alloys via charge carrier concentration or chemical potential

    Physica B Condensed Matter · 2023-01-30

    Torkia Ghellab, Hakim Baaziz, Zoulikha Charifi, H’mida Latelli

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  10. First-Principle Calculations to Investigate the Elastic, Thermoelectric, and Electronic Performances of XRhSn (X = V, Nb, Ta) Half-Heusler Compounds

    Journal of Superconductivity and Novel Magnetism · 2023-03-01

    Kai Yang, Rundong Wan, Zhengfu Zhang, Ying Lei, Guocai Tian

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  11. Thermoelectric Properties Investigation of Ni/Co Doped ZrCoBi Half-Heusler Alloy

    East European Journal of Physics · 2023-06-02

    Mahmoud Al Elaimi

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  12. The first-principles examination of the structural, electronic, elastic, phonon, and thermoelectric properties of Cubic LiXN (X = Be, Mg, Zn)

    Computational Condensed Matter · 2023-06-12

    Olusola Gabriel Adeleye, Bamidele Ibrahim Adetunji, Olasunkanmi Isaac Olusola, Abdulahi Ndzi Njah

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  13. Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications

    Computational and Theoretical Chemistry · 2023-08-30

    Alan A.G. Santos, Pablo D. Borges

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  14. Thermoelectric performance of cadmium-based LiCdX (X = N, P, As, Sb and Bi)-filled tetrahedral semiconductors: applications in green energy resources

    Pramana · 2023-10-10

    Pallavi Pallavi, Chandravir Singh, Peeyush Kumar Kamlesh, Rajeev Gupta, Ajay Singh Verma

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  15. Role of volume change on the physics of thermoelectric half-Heusler compounds

    Physical Review Materials · 2023-10-25

    M. Yazdani-Kachoei, Shaohan Li, Weiwei Sun, S. Mehdi Vaez Allaei, Igor Di Marco

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  16. Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications

    Unknown journal · 2023-11-07

    ALAN Antônio das Graças SANTOS

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  17. First Principle Investigations on Structural, Mechanical, Electronic, And Thermoelectric Properties of XCoP (XTi, Zr, Hf) Half Heusler Alloys for Energy Recovery Application

    Crystal Research and Technology · 2023-11-14

    K. Klinton Brito, Shobana Priyanka D, M. Srinivasan, P. Ramasamy

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  18. Optoelectronics and thermoelectric performances in CuX (X = F, Cl, Br, and I)

    Zeitschrift für Naturforschung A · 2023-12-18

    Torkia Ghellab, Zoulikha Charifi, Hakim Baaziz, Nadjia Latelli

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  19. Doping and Pressure Effects on Yttrium Hydrogen Selenide

    Advances in Condensed Matter Physics · 2024-01-01

    Tadesse Bekele Aredo, Megersa Wodajo Shura, Mesfin Asfaw Afrassa, Kumneger Tadele, Fekadu Tolessa Maremi, Kunsa Haho Habura

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  20. Structural, Electronic, Mechanical and Optical Properties of RhZrZ (Z = As, Sb) Half‐Heusler Compounds: First‐Principles Calculations

    Advances in Condensed Matter Physics · 2024-01-01

    Adem Beriso Bejo, Megersa Wodajo Shura, Mesfin Asfaw Afrassa, Kumneger Tadele, Fekadu Tolessa Maremi, Kunsa Haho Habura

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  21. First-principles calculations to investigate structural, electronic, magnetic, thermodynamic, and thermoelectric properties of RbSrZ (Z = Ge and Sn) d-d half-Heuslers for renewable energy applications

    Kuwait Journal of Science · 2024-07-19

    Nelson Oyindenyifa Nenuwe, J.O. Umukoro, Edison A. Enaibe

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  22. Enhancing the thermoelectric performance of BiGa2X4 (X=S, Se) P-type semiconductors by optimizing charge carrier concentration or chemical potentials

    Journal of Physics and Chemistry of Solids · 2024-08-03

    Ahmad Telfah, Torkia Ghellab, Zoulikha Charifi, Hakim Baaziz, Ahmad Mohammad Alsaad, Sahar Abdalla, Wai‐Ning Mei, Renat F Sabirianov

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  23. Exploring the structural, electronic, elastic, optical and thermoelectric properties of silver-based half-Heusler semiconductors AgYTe (Y = Li, Na, and K)

    Materials Science in Semiconductor Processing · 2024-08-07

    Bendehiba Sid Ahmed, Besbes Anissa, Djelti Radouan

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  24. Investigation of the structural, mechanical, anisotropic, thermal conductivity, electronic, and phonon properties of RhTiZ(Z: As, sb) half heusler compounds under high pressure: A DFT study

    Physica B Condensed Matter · 2024-08-15

    İlknur Kars Durukan, Yasemin Oztekin Ciftci

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  25. KCaAs and KCaP: promising half-Heusler compounds for UV protection and thermoelectric applications

    Physica Scripta · 2024-09-30

    O. Hammadache, Smain Mesbah, Mohammed Houari, Kamel Khelifa-Kerfa, Mohamed Benghanem, T. Lantri, Bakhta Belarbi

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  26. Unveiling half-metallic, thermoelectric and optoelectronic behavior of the new Heusler alloy RbCrZ (Z = Si, Ge): a DFT perspective

    Physica Scripta · 2024-10-14

    Bharti Gurunani, Dinesh C. Gupta

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  27. Theoretical study of structural, electronic, optical, thermoelectric and photovoltaic properties of chalcopyrite semiconductors AgGaTe2 and AgGaSe2 compounds for photocatalytic CO2 reduction

    Journal of the Australian Ceramic Society · 2024-11-15

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  28. Piezoelectricity in half-Heusler narrow-bandgap semiconductors

    Science · 2025-03-13

    Yi Huang, Fu Zai Lv, Shen Han, Mengzhao Chen, Yuechu Wang, Qianhui Lou, Chenguang Fu, Yu Huang, Di Wu, Fei Li, Tiejun Zhu

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  29. First principles electronic structure, magnetic, thermoelectric and optical properties of ferrimagnetic half-heusler compound TaMnX (X = Si,Ge): A DFT+U study

    Physica Scripta · 2025-10-01

    Tasso Yattung, P K Swain, S K Mohanta

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