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Structures and Energetics of SrFeO2.875 Calculated within the GGA plus U Framework 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2009, 卷号: 5, 期号: 10, 页码: 2787-2797
Authors:  Huang, Wen Lai;  Zhu, Qingshan;  Huang, WL
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Brillouin-zone Integrations  Density-functional Theory  Electronic-structure  Magnetic-properties  Ab-initio  Oxides  Simulations  Energies  Defects  Srfeo3