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RESEARCH PAPER · Journal of Solid State Chemistry · 2021

Enhanced figure of merit of TaIrGe Half-Heusler alloy for thermoelectric applications under the effect of isotropic strain

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Enhanced figure of merit of TaIrGe Half-Heusler alloy for thermoelectric applications under the effect of isotropic strainOriginalElectronic, thermoelectric, and optical studies of cubic Hf1-xTixO2: An attempt to enhance the key parameters13Effect of Be and P doping on the electron density, electrical and optoelectronic conduct of half-Heusler LiMgN within ab initio scheme16First principle study of structural, electronic, magnetic, optical and thermal properties of chalcogenides XFeSe 2 (X = Li, Na and K) half metallic compounds16Effects of isotropic strain on the structure and transport properties of half-Heusler alloy BiBaK: a first-principles investigation24Half Heusler Tipdc Alloys for Mid-Temperature Thermoelectric Applications1Strain effects on electronic and dynamical properties of half-Heusler semiconductors: insights from Meta-GGA5Ni2MnAl Heusler Alloy Nanoparticles for Chemoselective Hydrogenation of Nitro Compounds4Thermoelectric Properties of Line‐Node Dirac Semimetal and Topological Insulating Phase in Hexagonal Pnictide CaAgAs1Electronic and thermoelectric behaviour of XCaB (X = Li, Na, K) half-Heusler alloys under strain12Investigation of the structural, mechanical, anisotropic, thermal conductivity, electronic, and phonon properties of RhTiZ(Z: As, sb) half heusler compounds under high pressure: A DFT study0Strain induced ductile to brittle transitions of NiNbAl half-Heusler alloy12Novel TiPdC Half‐Heusler Alloys with High Thermoelectric Performance for High‐Grade Waste Heat Energy Harvesting7Effect of strain on the stability, electronic structure and thermoelectric characteristics of (PdXSn, X = Zr, Hf) half-Heusler compounds: a first-principles study5Optical and transport proprieties of γ -NaBeAs half-Heusler material for green energy harvesting applications0Lowering of lattice thermal conductivity through strain application on LiCaB half-heusler alloys in presence of aliovalent doping4Computational insights into strain modulated mechanical, electrical and thermoelectric properties of CoTiP half-Heusler1Strain-induced effect in magnetic and thermoelectric properties of ferromagnetic half-metal TaPtSi: Material computations7Impact of spin–orbit coupling on structural, mechanical, electronic, thermoelectric and thermodynamic properties of VIr-based half-Heusler compounds: Ab initio study4

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  1. Electronic, thermoelectric, and optical studies of cubic Hf1-xTixO2: An attempt to enhance the key parameters

    Journal of Solid State Chemistry · 2021-12-20

    Rajesh Kumar, Ankush Vij, Mukhtiyar Singh

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  2. Effect of Be and P doping on the electron density, electrical and optoelectronic conduct of half-Heusler LiMgN within ab initio scheme

    Physica Scripta · 2022-08-19

    Younes Ziat, Zakaryaa Zarhri, Hamza Belkhanchi, Ousama Ifguis, Andrés Domínguez Cano, Charaf Lazrak

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  3. First principle study of structural, electronic, magnetic, optical and thermal properties of chalcogenides XFeSe 2 (X = Li, Na and K) half metallic compounds

    Physica Scripta · 2022-10-21

    Abida Azam, Nawaz Muhammad, G. Murtaza, Muhammad Naveed Jafar, Thamraa M. Alshahrani, Mohammed A. Amin, Manal Morsi, H.H. Somaily, Qasim Mahmood

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  4. Effects of isotropic strain on the structure and transport properties of half-Heusler alloy BiBaK: a first-principles investigation

    RSC Advances · 2024-01-01

    Junhong Wei, Yongliang Guo, Guangtao Wang

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  5. Half Heusler Tipdc Alloys for Mid-Temperature Thermoelectric Applications

    SSRN Electronic Journal · 2024-01-01

    S Arulpandi, Klinton Brito K, Vairapperumal Tamilmani, M. Srinivasan

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  6. Strain effects on electronic and dynamical properties of half-Heusler semiconductors: insights from Meta-GGA

    Physica Scripta · 2024-05-02

    Djallal Eddine Mellah, Kamel Demmouche, Djamel Bezzerga

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  7. Ni2MnAl Heusler Alloy Nanoparticles for Chemoselective Hydrogenation of Nitro Compounds

    European Journal of Inorganic Chemistry · 2024-05-28

    Poorvi Gupta, Priyanka Yadav, Bharti Rana, Biplab Ghosh, Rajendra Singh Dhaka, Kuntal Manna

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  8. Thermoelectric Properties of Line‐Node Dirac Semimetal and Topological Insulating Phase in Hexagonal Pnictide CaAgAs

    physica status solidi (b) · 2024-06-25

    Narender Kumar, Nisha Sheoran, Hardev S. Saini

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  9. Electronic and thermoelectric behaviour of XCaB (X = Li, Na, K) half-Heusler alloys under strain

    Physica B Condensed Matter · 2024-07-17

    Geetimallika Das, Bulumoni Kalita

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  10. 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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  11. Strain induced ductile to brittle transitions of NiNbAl half-Heusler alloy

    Journal of Physics and Chemistry of Solids · 2024-08-19

    Rita John, D. Vishali

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  12. Novel TiPdC Half‐Heusler Alloys with High Thermoelectric Performance for High‐Grade Waste Heat Energy Harvesting

    physica status solidi (b) · 2025-02-21

    Arulpandi Subramani, Vairapperumal Tamilmani, M. Srinivasan, Klinton Brito K

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  13. Effect of strain on the stability, electronic structure and thermoelectric characteristics of (PdXSn, X = Zr, Hf) half-Heusler compounds: a first-principles study

    Discover Applied Sciences · 2025-02-22

    Bindu Rani, Kulwinder Kaur, Shobhna Dhiman, Marutheeswaran Srinivasan, Shakeel Ahmad Khandy

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  14. Optical and transport proprieties of γ -NaBeAs half-Heusler material for green energy harvesting applications

    Physica B Condensed Matter · 2025-03-18

    Y. Toual, S. Mouchou, Brahim Fakrach, Abdelouahid Azouaoui, Khalid Bouslykhane, Rachid Masrour, A. Rezzouk, A. Hormatallah, Najib Benzakour

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  15. Lowering of lattice thermal conductivity through strain application on LiCaB half-heusler alloys in presence of aliovalent doping

    Journal of Physics and Chemistry of Solids · 2025-04-24

    Geetimallika Das, Bulumoni Kalita

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  16. Computational insights into strain modulated mechanical, electrical and thermoelectric properties of CoTiP half-Heusler

    Solid State Communications · 2025-07-15

    Abir Bouchrit, Kamal Assiouan, Ziani Hanan, Ben Abdelouahab Fatima Zohra, Jamal EL. Khamkhami, Achahbar Abdelfettah

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  17. Strain-induced effect in magnetic and thermoelectric properties of ferromagnetic half-metal TaPtSi: Material computations

    Physica B Condensed Matter · 2025-09-16

    S S Beenaben, Radha Sankararajan, Srinivasan Manickam, Klinton Brito K

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  18. Impact of spin–orbit coupling on structural, mechanical, electronic, thermoelectric and thermodynamic properties of VIr-based half-Heusler compounds: Ab initio study

    Materials Today Communications · 2025-12-02

    Fatima Sidjilani, Fadila Belkharroubi, Yarub Al-Douri, F. Hamdache, Friha Khelfaoui, H. Benaissa, Mokhtar Bourdim, Toufik Nouri, Samia Bahlouli, Sid Ahmed Bendella, Anis Samy Amine Dib

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