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- W2198812302 abstract "Abstract The full-potential linearized augmented plane wave (FPLAPW) method based on the density functional theory within the GGA and GGA+U, is used to investigate the structural, magnetic and half-metallic properties of the Pnma orthorhombic Cerium orthoferrite (CeFeO 3 ) and Cerium orthochromite (CeCrO3). The calculated densities of states presented in this study identify the metallic behavior CeFeO3 when we use the GGA scheme, whereas when we use the GGA+U, we see that its exhibits half-metallic character with an integer magnetic moment of 24 μB per formula unit at its equilibrium volume. CeCrO3 is half-metallic for both approaches and of n type conductivity for GGA but p type conductivity for GGA+U. It is found that the majority of the magnetic moments of both compounds originate from the cerium sites since the f states of Ce are spin polarized. From the band structure and the densities of states analysis, we find that CeCrO3 and CeFeO3 are strong candidates for spintronic applications." @default.
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- W2198812302 date "2016-02-01" @default.
- W2198812302 modified "2023-09-27" @default.
- W2198812302 title "Search for half-metallic ferromagnetism in orthorhombic Ce(Fe/Cr)O3 perovskites" @default.
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- W2198812302 doi "https://doi.org/10.1016/j.ssc.2015.12.005" @default.
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