Nanoscale Disorder in CaCu3Ti4O12: A New Route to the Enhanced Dielectric Response

Y. Zhu, J. C. Zheng, L. Wu, A. I. Frenkel, J. Hanson, P. Northrup, and W. Ku
Phys. Rev. Lett. 99, 037602 – Published 18 July 2007

Abstract

Significant nanoscale disorder of Cu and Ca atomic substitution is observed in CaCu3Ti4O12, 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 eg 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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  • Received 23 March 2007

DOI:https://doi.org/10.1103/PhysRevLett.99.037602

©2007 American Physical Society

Authors & Affiliations

Y. Zhu1,*, J. C. Zheng1, L. Wu1, A. I. Frenkel2, J. Hanson1, P. Northrup1, and W. Ku1

  • 1Brookhaven National Laboratory, Upton, New York 11973, USA
  • 2Yeshiva University, New York, New York 10016, USA

  • *Corresponding author. zhu@bnl.gov

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Vol. 99, Iss. 3 — 20 July 2007

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