Investigation on structural, electronic and magnetic properties of perovskites SrMO3 (M = Mn and Co) via GGA and GGA + U methods
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In this study, two transition-metal perovskites SrMO3 (M = Mn and Co) of interest were studied. Their structural, electronic and magnetic properties were investigated via the full-potential linear muffin-tin orbital (FP-LMTO) method within a generalized gradient approximation (GGA) and GGA + U in the framework of the density functional theory (DFT).
Nội dung trích xuất từ tài liệu:
Investigation on structural, electronic and magnetic properties of perovskites SrMO3 (M = Mn and Co) via GGA and GGA + U methods
Nội dung trích xuất từ tài liệu:
Investigation on structural, electronic and magnetic properties of perovskites SrMO3 (M = Mn and Co) via GGA and GGA + U methods
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