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: The Institute of Physical and Chemical Research
• 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
• 起止时间: 2009 至 2011
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-21740270/
• 关键词: 物性理論; 分子性導体; 遷移金属酸化物; 相転移; 磁性; 金属絶縁体転移; 電荷秩序; 新規物質

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.

为了阐明分子导体和过渡金属氧化物中新型相变的起源，我们基于从头算（第一原理）能带计算构建了有效的模型。通过考虑电子相关性和电子-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排序问题的机制。