Mechanism of phase transitions in novel molecular conductors and transition metal oxides by constructing and analyzing effective models
Mechanism of phase transitions in novel molecular conductors and transition metal oxides by constructing and analyzing effective models
通过构建和分析有效模型研究新型分子导体和过渡金属氧化物的相变机制
批准号：
21740270
负责人：
SEO Hitoshi
金额：
$2.83万
依托单位国家：
日本
项目类别：
Grant-in-Aid for Young Scientists (B)
财政年份：
2009
资助国家：
日本
项目状态：
已结题
起止时间：
2009 至 2011
中文摘要
翻译
为了阐明分子导体和过渡金属氧化物中新相变的起源，我们基于从头算（第一性原理）建立了有效的能带计算模型。通过考虑电子相关和电子-声子相互作用，我们成功地推导了几种材料的微观模型，并通过模型分析提出了未解决的自旋和电荷有序问题的机理。
英文摘要
In order to clarify the origin of novel phase transitions in molecular conductors and transition metal oxides, we have constructed effective models based on ab initio(first principles) band calculations. By considering electron correlation and electron-phonon interaction we succeeded in deriving microscopic models for several materials, and in proposing mechanism of unsolved problems of spin and charge ordering by model analyses.
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会议论文
Theoretical study on electron-lattice coupled phenomena in organic conductors and transition metal oxides
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批准号：18740221
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项目类别：Grant-in-Aid for Young Scientists (B)
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资助金额：$2.27万
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财政年份：2006
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负责人：SEO Hitoshi
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依托单位：
海外基金
