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- W4283315511 abstract "In this investigation, the structural, mechanical, electronic, magnetic, and thermoelectric properties of fluoroperovskite NH 4 AF 3 (A = Fe and Co) compounds were determined utilizing the WIEN2k code. The structural properties such as tolerance factor, enthalpy, and elastic stability criterion predict that the studied compounds are mechanically and thermodynamically stable. Furthermore, the mechanical properties show that NH 4 FeF 3 is more stretchable and rigid in nature than NH 4 CoF 3 . Interestingly, both compounds exhibit the anisotropic, intermediate type of bonding effect, higher plastic deformation limit, and brittle nature. The high melting temperature of the present compounds indicates the possible usage of these compounds in high-temperature electronic applications. The electronic calculations show that NH 4 FeF 3 and NH 4 CoF 3 are half-metallic and ferromagnetic compounds with a combination of ionic and covalent bonds between the different atoms. The thermoelectric parameters predict that electrons are the main charge carriers for the present compound with p-type character. Our study suggests that these plausible applications of the compounds are very versatile and include heat sensors, spintronic devices, optoelectronic sensors, and magnetic tunnel junction devices." @default.
- W4283315511 created "2022-06-24" @default.
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- W4283315511 date "2022-07-01" @default.
- W4283315511 modified "2023-09-25" @default.
- W4283315511 title "Computational delving into conceivable thermoelectric and spintronic applications of NH<sub>4</sub>AF<sub>3</sub> (A = Fe and Co) ferromagnets" @default.
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- W4283315511 doi "https://doi.org/10.1139/cjp-2021-0227" @default.
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