MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications
The MnNiSi half-Heusler alloy was synthesized via solid-state synthesis for thermoelectric and spintronic applications and extensively characterized using various techniques. X-ray diffraction (XRD) confirmed the alloy's cubic crystal structure with three interpenetrating face-centered cubic su...
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Elsevier
2025-06-01
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| Series: | Chemical Physics Impact |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022425000787 |
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| author | Beenaben S S Radha Sankararajan Srinivasan Manickam KlintonBrito K Prasath M |
| author_facet | Beenaben S S Radha Sankararajan Srinivasan Manickam KlintonBrito K Prasath M |
| author_sort | Beenaben S S |
| collection | DOAJ |
| description | The MnNiSi half-Heusler alloy was synthesized via solid-state synthesis for thermoelectric and spintronic applications and extensively characterized using various techniques. X-ray diffraction (XRD) confirmed the alloy's cubic crystal structure with three interpenetrating face-centered cubic sublattices and a lattice parameter of 5.1592 Å. Field emission scanning electron microscopy (FE-SEM) revealed a polycrystalline nature with grains of varying shapes and sizes, while energy-dispersive X-ray spectroscopy (EDX) verified compositional homogeneity. Optical characterization using UV–Vis spectroscopy identified a broad absorption peak at 278 nm, and the optical bandgap energy (Eg) was calculated as 0.57 eV from the Tauc plot, indicating semiconducting behaviour. Fourier-transform infrared (FTIR) spectroscopy highlighted vibrational modes associated with organic and inorganic components. Mechanical analysis demonstrated stability with Debye and melting temperatures of 505 K and 1244 K, respectively. The magnetic characteristics of the MnNiSi half-Heusler demonstrate the material's Ferromagnetic (FM) behaviour. The thermoelectric evaluation showed a Seebeck coefficient of 118 µV/K, electrical conductivity of 1.08 × 103 Ω-1m-1, a thermal conductivity of 2.18 W/mK, and a power factor of 15.27 × 10–3W/mK2. These properties yielded a dimensionless figure of merit (ZT) of 1.52, highlighting MnNiSi as a promising candidate for thermoelectric energy conversion applications. |
| format | Article |
| id | doaj-art-0a6bbf3ad46a44e880d43a22de7bff74 |
| institution | DOAJ |
| issn | 2667-0224 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | Elsevier |
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| spelling | doaj-art-0a6bbf3ad46a44e880d43a22de7bff742025-08-20T02:39:34ZengElsevierChemical Physics Impact2667-02242025-06-011010089110.1016/j.chphi.2025.100891MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applicationsBeenaben S S0Radha Sankararajan1Srinivasan Manickam2KlintonBrito K3Prasath M4Department of ECE, Sri Sivasubramaniya Nadar College of Engineering, Chennai, Tamil Nadu, India; Corresponding author.Department of ECE, Sri Sivasubramaniya Nadar College of Engineering, Chennai, Tamil Nadu, IndiaDepartment of Physics, Research Centre, Sri Sivasubramaniya Nadar College of Engineering, Chennai, Tamil Nadu, IndiaDepartment of Physics, Research Centre, Sri Sivasubramaniya Nadar College of Engineering, Chennai, Tamil Nadu, IndiaDepartment of Physics, Periyar University Centre for Postgraduate and Research studies Dharmapuri, Tamil Nadu, IndiaThe MnNiSi half-Heusler alloy was synthesized via solid-state synthesis for thermoelectric and spintronic applications and extensively characterized using various techniques. X-ray diffraction (XRD) confirmed the alloy's cubic crystal structure with three interpenetrating face-centered cubic sublattices and a lattice parameter of 5.1592 Å. Field emission scanning electron microscopy (FE-SEM) revealed a polycrystalline nature with grains of varying shapes and sizes, while energy-dispersive X-ray spectroscopy (EDX) verified compositional homogeneity. Optical characterization using UV–Vis spectroscopy identified a broad absorption peak at 278 nm, and the optical bandgap energy (Eg) was calculated as 0.57 eV from the Tauc plot, indicating semiconducting behaviour. Fourier-transform infrared (FTIR) spectroscopy highlighted vibrational modes associated with organic and inorganic components. Mechanical analysis demonstrated stability with Debye and melting temperatures of 505 K and 1244 K, respectively. The magnetic characteristics of the MnNiSi half-Heusler demonstrate the material's Ferromagnetic (FM) behaviour. The thermoelectric evaluation showed a Seebeck coefficient of 118 µV/K, electrical conductivity of 1.08 × 103 Ω-1m-1, a thermal conductivity of 2.18 W/mK, and a power factor of 15.27 × 10–3W/mK2. These properties yielded a dimensionless figure of merit (ZT) of 1.52, highlighting MnNiSi as a promising candidate for thermoelectric energy conversion applications.http://www.sciencedirect.com/science/article/pii/S2667022425000787Solid-state synthesisHalf-Heusler alloySemiconductorThermoelectricFigure of merit |
| spellingShingle | Beenaben S S Radha Sankararajan Srinivasan Manickam KlintonBrito K Prasath M MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications Chemical Physics Impact Solid-state synthesis Half-Heusler alloy Semiconductor Thermoelectric Figure of merit |
| title | MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications |
| title_full | MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications |
| title_fullStr | MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications |
| title_full_unstemmed | MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications |
| title_short | MnNiSi Half-Heusler Alloy: Computational and experimental insights for energy harvesting and spintronic applications |
| title_sort | mnnisi half heusler alloy computational and experimental insights for energy harvesting and spintronic applications |
| topic | Solid-state synthesis Half-Heusler alloy Semiconductor Thermoelectric Figure of merit |
| url | http://www.sciencedirect.com/science/article/pii/S2667022425000787 |
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