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RESEARCH PAPER · Physica B Condensed Matter · 2018

Unravelling the magnetism, high spin polarization and thermoelectric efficiency of ZrFeSi half-Heusler

Saleem Yousuf, Dinesh C. Gupta

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Unravelling the magnetism, high spin polarization and thermoelectric efficiency of ZrFeSi half-HeuslerOriginalInvestigation of spin polarized band structure, magnetism, and mechanical properties of new gapless Zr2NbX (X= Al, Ga, In) Heusler alloys11Effect of High Pressure and Temperature on Magneto-Electronic, Thermodynamic, and Transport Properties of Antiferromagnetic HoPdX (X = As, Ge) Alloys12Equiatomic iron-based tetrelides TFeSi and TFeGe (T = Zr, Nb, Hf, Ta) – A 57Fe Mössbauer-spectroscopic study6Insight into structural, electronic and thermoelectric properties of Zr2MnX (X = Ga, In) Heuslers6Applicability of semi-classical Boltzmann transport theory in understanding the thermoelectric properties of ZrNiSn and ZrNiPb half-heuslers2Thermoelectric response of ZrNiSn and ZrNiPb Half-Heuslers: Applicability of semi-classical Boltzmann transport theory42Prediction of robustness of electronic, magnetic and thermoelectric properties under pressure and temperature variation in Co2MnAs alloy59Half-metallicity and onsite Hubbard interaction on d-electronic states: a case study of Fe2NiZ (Z = Al, Ga, Si, Ge) Heusler systems8Theoretical calculations on half-metallic results properties of FeZrX (X = P, As, Sb and Bi) half-Heusler compounds: density functional theory24Comprehensive DFT investigation of transition-metal-based new quaternary Heusler alloys CoNbMnZ (Z = Ge, Sn): compatible for spin-dependent and thermoelectric applications29A high-throughput descriptor for prediction of lattice thermal conductivity of half-Heusler compounds26Structural, elastic, electronic and transport properties of CoVX (X = Ge and Si) compounds: A DFT prediction9Structural, electronic, magnetic and thermoelectric properties of Full-Heusler Fe2MnSi: Ab initio calculations60TB-mBJ calculations of optical and thermoelectric properties of half-Heusler FeCrAs alloy29Thermoelectric and Half-Metallic Behavior of the Novel Heusler Alloy RbCrC: Ab initio DFT Study20DFT study of structural, elastic, electronic, magnetic, thermal and transport properties of new multifunctional NiVSn half-Heusler for spintronic and thermoelectric applications15An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi5Electronic structure, magnetic, optical and thermoelectric properties of half Heusler alloys ZrFeZ (Z = Si, Ge, As, Sb, Bi)1Exceptional enhancement of Curie temperature and half-metallic ferromagnetism induced by Fe doping in XHfSb (X = Rh, Ir) half-Heusler compounds2Enhanced spin thermoelectric response in half-metallic CoTiTe: Material for spintronic and spin-caloritronic applications2New Rattling Heuslers Ba2YO (Y = Ni, Pd, Pt) for solar-cell applications, ab-initio investigation of optoelectronic and thermoelectric properties0

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  1. Investigation of spin polarized band structure, magnetism, and mechanical properties of new gapless Zr2NbX (X= Al, Ga, In) Heusler alloys

    Journal of Alloys and Compounds · 2018-06-30

    Saleem Yousuf, Dinesh C. Gupta

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  2. Effect of High Pressure and Temperature on Magneto-Electronic, Thermodynamic, and Transport Properties of Antiferromagnetic HoPdX (X = As, Ge) Alloys

    Journal of Superconductivity and Novel Magnetism · 2018-11-05

    Srishti Singh, Tahir Mohiuddin Bhat, Dinesh C. Gupta

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  3. Equiatomic iron-based tetrelides TFeSi and TFeGe (T = Zr, Nb, Hf, Ta) – A 57Fe Mössbauer-spectroscopic study

    Zeitschrift für Naturforschung B · 2018-12-08

    Sebastian Stein, Theresa Block, Steffen Klenner, Lukas Heletta, Rainer Pöttgen

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  4. Insight into structural, electronic and thermoelectric properties of Zr2MnX (X = Ga, In) Heuslers

    Materials Research Express · 2018-12-28

    Saleem Yousuf, Nguyen Dinh Hien, Khalid Mujasam Batoo, Emad H. Raslan, Dinesh C. Gupta

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  5. Applicability of semi-classical Boltzmann transport theory in understanding the thermoelectric properties of ZrNiSn and ZrNiPb half-heuslers

    AIP conference proceedings · 2019-01-01

    Saleem Yousuf, Tahir Mohiuddin Bhat, Srishti Singh, Z. Saleem, Shabir Ahmad Mir, Saveer Ahmad Khandy, Ab Quyoom Seh, Shakeel Ahmad Sofi, Muskan Nabi, V. K. Sharma, Dinesh C. Gupta

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  6. Thermoelectric response of ZrNiSn and ZrNiPb Half-Heuslers: Applicability of semi-classical Boltzmann transport theory

    Results in Physics · 2019-01-18

    Saleem Yousuf, Dinesh C. Gupta

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  7. Prediction of robustness of electronic, magnetic and thermoelectric properties under pressure and temperature variation in Co2MnAs alloy

    Computational Condensed Matter · 2019-02-23

    Shakeel Ahmad Sofi, Saleem Yousuf, Dinesh C. Gupta

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  8. Half-metallicity and onsite Hubbard interaction on d-electronic states: a case study of Fe2NiZ (Z = Al, Ga, Si, Ge) Heusler systems

    The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2019-03-05

    Zahid Saleem Ganai, Saleem Yousuf, Khalid Mujasam Batoo, M. Zareef Khan, Dinesh C. Gupta

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  9. Theoretical calculations on half-metallic results properties of FeZrX (X = P, As, Sb and Bi) half-Heusler compounds: density functional theory

    Materials Research Express · 2019-04-16

    Evren Görkem Özdemir, Ziya Merdan

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  10. Comprehensive DFT investigation of transition-metal-based new quaternary Heusler alloys CoNbMnZ (Z = Ge, Sn): compatible for spin-dependent and thermoelectric applications

    RSC Advances · 2020-01-01

    Ab Quyoom Seh, Dinesh C. Gupta

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  11. A high-throughput descriptor for prediction of lattice thermal conductivity of half-Heusler compounds

    Journal of Physics D Applied Physics · 2020-04-15

    Jianghui Liu, Shihao Han, Guohua Cao, Zizhen Zhou, Caiyu Sheng, Huijun Liu

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  12. Structural, elastic, electronic and transport properties of CoVX (X = Ge and Si) compounds: A DFT prediction

    Computational Condensed Matter · 2020-04-29

    S. Chibani, Nadir Chami, Omar Arbouche, Kadda Amara, A. Kafi

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  13. Structural, electronic, magnetic and thermoelectric properties of Full-Heusler Fe2MnSi: Ab initio calculations

    Results in Physics · 2020-07-29

    Y. El Krimi, Rachid Masrour, A. Jabar, Salima Labidi, M. Bououdina, M. Ellouze

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  14. TB-mBJ calculations of optical and thermoelectric properties of half-Heusler FeCrAs alloy

    Optical and Quantum Electronics · 2020-09-01

    Djelti Radouan, Besbes Anissa, Benaouda Bestani

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  15. Thermoelectric and Half-Metallic Behavior of the Novel Heusler Alloy RbCrC: Ab initio DFT Study

    SPIN · 2020-10-01

    M. Hammou, Fatima Bendahma, Mohamed Mana, Sabria Terkhi, N. Benderdouche, Zoubir Aziz, Bachir Bouhafs

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  16. DFT study of structural, elastic, electronic, magnetic, thermal and transport properties of new multifunctional NiVSn half-Heusler for spintronic and thermoelectric applications

    International Journal of Modern Physics B · 2021-07-14

    Y. Bouldiab, Sabria Terkhi, Zoubir Aziz, Fatima Bendahma, Mohammed Abderrahim Bennani, Rachida Bentata, Mohammed Amine Boudjeltia

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  17. An Insight into the Electronic, Optical and Transport Properties of a Half Heusler Alloy: NiVSi

    East European Journal of Physics · 2022-03-17

    Djelti Radouan, Besbes Anissa, Benaouda Bestani

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  18. Electronic structure, magnetic, optical and thermoelectric properties of half Heusler alloys ZrFeZ (Z = Si, Ge, As, Sb, Bi)

    Phase Transitions · 2025-05-04

    R. Meenakshi, R. Aram Senthil Srinivasan, A. Amudhavalli, Kombiah Iyakutti, Yoshiyuki Kawazoe, Ratnavelu RAJESWARAPALANICHAMY

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  19. Exceptional enhancement of Curie temperature and half-metallic ferromagnetism induced by Fe doping in XHfSb (X = Rh, Ir) half-Heusler compounds

    Computational Condensed Matter · 2026-03-13

    Mourad AMZAOUED, S. Zriouel, M. Mabrouki

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  20. Enhanced spin thermoelectric response in half-metallic CoTiTe: Material for spintronic and spin-caloritronic applications

    Journal of Molecular Graphics and Modelling · 2026-06-08

    A. Samih, N. Bouzakraoui, Zakaria Fadil, R. Rayouss, El Mehdi Salmani, M. Naziruddin Khan, Chaitany Jayprakash Raorane

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  21. New Rattling Heuslers Ba2YO (Y = Ni, Pd, Pt) for solar-cell applications, ab-initio investigation of optoelectronic and thermoelectric properties

    Indian Journal of Physics · 2026-07-01

    Khedidja Mechehoud, M. Mana, Mouffok Rédouane Ghezzar, Fatima Bendahma, Rachid Baghdad, N. Benderdouche

    Read original paper ↗ ·
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