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Abstract
摘要 |
Materials with transition-metals straddle the boundary between covalent, ionic, and metallic bonding, showing many fascinating physical phenomena, such as high-Tc superconductivity in layered cuprates. The understanding of these phenomena can be largely attributed to the complex correlation between electrons in these materials. In this talk, I will present my recent study of the electronic structure of transition-metal oxides, transition-metal phthalocyanines, and iron-based superconductors. The first-principles studies of the electronic structures and magnetic properties of the interesting transition-metal oxides, including β-Na0.33V2O5, CaCrO3, MnV2O4, and Sr3NiIrO6, will be presented. In addition, the relationship between magnetics and chain structures in the newly established strongly correlated organic compounds, metal phthalocyanines (where metals are isolated by organic rings) - lithium-phthalocyanines, cobalt-phthalocyanines, chromium-phthalocyanines, and copper-phthalocyanines - has been studied extensively. We have also studied magnetism and electronic structure of FeSe and LiFeAs, which will be presented as well. |
