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RESEARCH PAPER · Journal of Physics and Chemistry of Solids · 2025

First-principles calculations to investigate structural, mechanical, electronic, transport and thermoelectric properties of XTiPd(X=Si, Ge, Sn, Pb) Half Heusler alloys

Athira Mohan, Rita John

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First-principles calculations to investigate structural, mechanical, electronic, transport and thermoelectric properties of XTiPd(X=Si, Ge, Sn, Pb) Half Heusler alloysOriginalThermoelectric performance of Li-based Heusler compounds: a multiscale computational review0Tailoring the phase transitions in Mn doped SiTiPd half Heusler Alloy—A first principles insight0Determining the Thermoelectric Properties of Semimetals Using Two-Band Models With Python0Tailoring Ti centric electron correlation in XTiPd(X = Si, Ge, Sn, Pb) half Heusler alloys—A first principles insight0Exploring the structural stability, hydrogen storage capacity and comprehensive properties of XRuH3 hydrides for hydrogen storage0

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  1. Thermoelectric performance of Li-based Heusler compounds: a multiscale computational review

    Physical Chemistry Chemical Physics · 2025-01-01

    Qian Guo, Yinchang Zhao, Jun Ni, Zhenhong Dai

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  2. Tailoring the phase transitions in Mn doped SiTiPd half Heusler Alloy—A first principles insight

    Journal of Physics and Chemistry of Solids · 2025-08-05

    Athira Mohan, Rita John

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  3. Determining the Thermoelectric Properties of Semimetals Using Two-Band Models With Python

    IGI Global eBooks · 2026-04-03

    Mohammad Norman Gaza Laksono, Qori Halimatul Hidayah, Binastya Anggara Sekti, Zhafira Anindya Tiaraputri, Mohamad Iqbal Ajie Laksono, Putri Jelita Syifa Eraydya

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  4. Tailoring Ti centric electron correlation in XTiPd(X = Si, Ge, Sn, Pb) half Heusler alloys—A first principles insight

    Physica B Condensed Matter · 2026-05-21

    Athira Mohan, Rita John

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  5. Exploring the structural stability, hydrogen storage capacity and comprehensive properties of XRuH3 hydrides for hydrogen storage

    Journal of Physics and Chemistry of Solids · 2026-07-03

    Jiahao Gao, Yong Pan

    Read original paper ↗ ·
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