价(化学)
纳米尺度
简并能级
电介质
材料科学
分析化学(期刊)
物理
纳米技术
化学
量子力学
光电子学
色谱法
作者
Yaguang Zhu,Jin‐Cheng Zheng,Lijun Wu,Anatoly I. Frenkel,Jonathan C. Hanson,Paul Northrup,Wei Ku
标识
DOI:10.1103/physrevlett.99.037602
摘要
Significant nanoscale disorder of Cu and Ca atomic substitution is observed in CaCu(3)Ti(4)O(12), based on our integrated study using quantitative electron diffraction and extended x-ray absorption fine structure. Unambiguous identification of this previously omitted disorder is made possible by the unique sensitivity of these probes to valence-electron distribution and short-range order. Furthermore, first-principles-based theoretical analysis indicates that the Ca-site Cu atoms possess partially filled degenerate e(g) states, suggesting significant boost of dielectric response from additional low-energy electronic contributions. Our study points to a new route of enhancing dielectric response in transitional metal oxides by exploiting the strong electronic correlation beyond classical static pictures.
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