کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1591335 1515571 2016 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Search for half-metallic ferromagnetism in orthorhombic Ce(Fe/Cr)O3 perovskites
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
Search for half-metallic ferromagnetism in orthorhombic Ce(Fe/Cr)O3 perovskites
چکیده انگلیسی
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 (CeFeO3) 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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 228, February 2016, Pages 36-42
نویسندگان
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