2012 Fiscal Year Final Research Report
Development of the microscopic theory on anomalous electronic states in hollandite-type transition-metal oxides
| Project/Area Number |
22540363
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Condensed matter physics II
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| Research Institution | Chiba University |
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Principal Investigator |
OHTA Yukinori 千葉大学, 大学院・理学研究科, 教授 (70168954)
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| Co-Investigator(Renkei-kenkyūsha) |
KONISHI Takehisa 千葉大学, 大学院・融合科学研究科, 准教授 (40302525)
SHIRAKAWA Tomonori 独立行政法人理化学研究所, 柚木計算物性物理研究室, 特別研究員 (40571237)
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| Project Period (FY) |
2010 – 2012
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| Keywords | 強相関系 |
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| Research Abstract |
We study the mechanisms of anomalous electronic properties of transition-metal oxides with hollandite-type crystal structure. We use the first-principles electronic structure calculations based on the density functional theory as well as the model calculations based on the variational cluster approximation and density-matrix renormalization group method. We in particular clarify the origin of the quasi-one-dimensional electronic state of ruthenium oxide, mechanism of the perfect ferromagnetism and metal-insulator transition in chromium oxide, and mechanism of the formation of the superatomic crystal in molybdenum oxide.
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