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• W3160526307 abstract "The diluted magnetic semiconductor (DMS) has significant potential application in spintronic devices, and DMS oxides have been considered a possibility for high ferromagnetic transition temperature. Here, the first-principles calculation is utilized to comprehensively examine characteristics of high ferromagnetic transition temperature in transition-metal (TM = V, Cr, Mn, Fe, Co, Ni, and Cu)-doped SrTiO3 (STO) at 25%, 12.5%, and 7.4% doping concentrations with respect to their total energy, Curie temperature (TC), formation energy, and Gibbs free energy. We find that high ferromagnetic transition temperature can be obtained in Mn-, Fe-, and Co-doped STO systems with dopant concentration over 7.4%. In addition, TC decreases with the decrease in doping concentration. In particular, above 340 K, Mn-doped STO with 25% doping concentration is in the ferromagnetic state, which resolves the conflict in previous reports that the theoretically calculated Mn-doped STO system has no room-temperature ferromagnetism (RTFM), which has been reported experimentally. V- and Cu-doped STO systems always show the antiferromagnetic ground state. Although the Cr-doped system shows the ferromagnetic ground state at a concentration of 25%, its TC (92.4 K) is much lower than room temperature. Whether Ni-doped STO has ferromagnetism at room temperature needs further experimental verification. The results indicate that Mn-, Fe-, and Co-doped STO systems are very good candidate materials exhibiting RTFM." @default.
• W3160526307 created "2021-05-24" @default.
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• W3160526307 date "2021-05-01" @default.
• W3160526307 modified "2023-10-02" @default.
• W3160526307 title "Room temperature ferromagnetic stability of SrTi_{1<b>−</b><i>x</i>}<i>M</i>_<i>x</i>O₃ (<i>M</i> = V, Cr, Mn, Fe, Co, Ni, Cu): A theoretical perspective" @default.
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• W3160526307 doi "https://doi.org/10.1063/5.0049040" @default.
• W3160526307 hasPublicationYear "2021" @default.
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