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<p>This work presents a comprehensive study on Ca<sub>0.85</sub>R<sub>0.15</sub>MnO<sub>3</sub> (R = Gd, Nd, La) manganites, highlighting how rare-earth substitution influences their structural, electronic, magnetic, and thermoelectric properties. XRD and Rietveld refinement reveal orthorhombic symmetry with tunable MnO<sub>6</sub> octahedral distortion, while XPS confirms&#xa0;Mn<sup>3+</sup>/Mn<sup>4+&#xa0;</sup>valence modulation via oxygen vacancy formation. Gd-doped CaMnO<sub>3</sub> (CGMO) exhibits minimal distortion, highest&#xa0;Mn⁴⁺ content, and enhanced double-exchange interaction, resulting in the highest Curie temperature (113&#xa0;K). Thermoelectric power, TEP (also known as the Seebeck coefficient, S) measurements indicate electron-magnon scattering dominates at low temperatures and small polaron hopping dominates at higher temperatures. Among all the compositions, CGMO demonstrates the lowest activation energy, improved carrier mobility, and the most favourable balance of magnetic and thermoelectric performance. Notably, CGMO also achieves the highest thermoelectric power factor (~ 34 µW·K⁻²·m⁻¹ nearly at 184&#xa0;K), confirming its superior electronic efficiency. These findings conclusively establish CGMO as a structurally stable and electronically efficient candidate for low-temperature thermoelectric applications. The study provides a clear structure–property–performance framework for designing multifunctional perovskite oxide materials via controlled rare-earth doping.</p>

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Tailoring structural, electronic, magnetic, and thermoelectric properties of Ca0.85R0.15MnO3 manganite’s through rare-earth doping

  • 期刊论文

  • 发表日期：

    2025年10月16日

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  • Bidyut Sarkar,
  • Rinku Sarkar,
  • Swagata Bhattacharjee

摘要

This work presents a comprehensive study on Ca0.85R0.15MnO3 (R = Gd, Nd, La) manganites, highlighting how rare-earth substitution influences their structural, electronic, magnetic, and thermoelectric properties. XRD and Rietveld refinement reveal orthorhombic symmetry with tunable MnO6 octahedral distortion, while XPS confirms Mn3+/Mn4+ valence modulation via oxygen vacancy formation. Gd-doped CaMnO3 (CGMO) exhibits minimal distortion, highest Mn⁴⁺ content, and enhanced double-exchange interaction, resulting in the highest Curie temperature (113 K). Thermoelectric power, TEP (also known as the Seebeck coefficient, S) measurements indicate electron-magnon scattering dominates at low temperatures and small polaron hopping dominates at higher temperatures. Among all the compositions, CGMO demonstrates the lowest activation energy, improved carrier mobility, and the most favourable balance of magnetic and thermoelectric performance. Notably, CGMO also achieves the highest thermoelectric power factor (~ 34 µW·K⁻²·m⁻¹ nearly at 184 K), confirming its superior electronic efficiency. These findings conclusively establish CGMO as a structurally stable and electronically efficient candidate for low-temperature thermoelectric applications. The study provides a clear structure–property–performance framework for designing multifunctional perovskite oxide materials via controlled rare-earth doping.