Issue 26, 2024

First-principles prediction of half metallic-ferromagnetism in La0.25Sr0.75Sn0.4In0.25Ru0.35O3 and enhanced experimental electrical and magnetic behaviours

Abstract

A successful mechanochemical synthesis of a new nanoscale semi-conductive perovskite, La0.25Sr0.75Sn0.4In0.25Ru0.35O3 (LSSIRuO) was achieved through co-doping of SrSnO3. XRD and IR analyses confirmed that the sample crystallized in a pure perovskite GdFeO3 type structure (Pnma space group). Diffuse reflectance measurements revealed a direct band gap of 1.3 eV, which was significantly narrowed compared to that of SrSnO3 (4.1 eV). The investigation of DFT calculations into the sextenary systems La0.25Sr0.75[Sn0.4Ru0.35]In0.25O3 and La0.25Sr0.75[Sn0.5Ru0.25]In0.25O3 has revealed semiconductor behavior, very close to a semiconductor–semi metal transition. Importantly, Arrhenius-type charge transport was confirmed through a temperature-dependent conductivity study of the sample, showing good electrical conductivity of 3.6 S m−1 at 513 K with an activation energy of Ea = 0.19 eV. Furthermore, the compound exhibited ferromagnetic ordering at temperatures lower than 155 K, contrasting the diamagnetic behavior of SrSnO3. The narrower band gap value (1.3 eV) and improved electrical properties of LSSIRuO, in addition to its ferromagnetic characteristics, distinguish it as a promising candidate for applications in optoelectronics, as well as in memory and spintronic devices.

Graphical abstract: First-principles prediction of half metallic-ferromagnetism in La0.25Sr0.75Sn0.4In0.25Ru0.35O3 and enhanced experimental electrical and magnetic behaviours

Supplementary files

Article information

Article type
Paper
Submitted
23 Mar 2024
Accepted
06 Jun 2024
First published
11 Jun 2024

Phys. Chem. Chem. Phys., 2024,26, 18102-18112

First-principles prediction of half metallic-ferromagnetism in La0.25Sr0.75Sn0.4In0.25Ru0.35O3 and enhanced experimental electrical and magnetic behaviours

S. Barouni, A. Brahmia, H. Chaker, M. M. Maslov, A. Alhussein and R. Ben Hassen, Phys. Chem. Chem. Phys., 2024, 26, 18102 DOI: 10.1039/D4CP01233J

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