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

Abstract

Significant nanoscale disorder of Cu and Ca atomic substitution is observed in CaCu{sub 3}Ti{sub 4}O{sub 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{sub 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.

Authors:
; ; ; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL) National Synchrotron Light Source
Sponsoring Org.:
Doe - Office Of Science
OSTI Identifier:
930544
Report Number(s):
BNL-80644-2008-JA
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US200904%%779
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters; Journal Volume: 99
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION; ATOMS; CALCIUM COMPOUNDS; COPPER COMPOUNDS; DIELECTRIC MATERIALS; DISTRIBUTION; ELECTRON DIFFRACTION; FINE STRUCTURE; OXIDES; SENSITIVITY; TITANATES; VALENCE; X-RAY SPECTROSCOPY; national synchrotron light source

Citation Formats

Zhu,Y., Zhang, J., Wu, L., Frenkel, A., Hanson, J., Northrup, P., and Ku, W. Nanoscale Disorder in CaCu3Ti4O12: A New Route to Enhanced Dielectric Response. United States: N. p., 2007. Web. doi:10.1103/PhysRevLett.99.037602.
Zhu,Y., Zhang, J., Wu, L., Frenkel, A., Hanson, J., Northrup, P., & Ku, W. Nanoscale Disorder in CaCu3Ti4O12: A New Route to Enhanced Dielectric Response. United States. doi:10.1103/PhysRevLett.99.037602.
Zhu,Y., Zhang, J., Wu, L., Frenkel, A., Hanson, J., Northrup, P., and Ku, W. Mon . "Nanoscale Disorder in CaCu3Ti4O12: A New Route to Enhanced Dielectric Response". United States. doi:10.1103/PhysRevLett.99.037602.
@article{osti_930544,
title = {Nanoscale Disorder in CaCu3Ti4O12: A New Route to Enhanced Dielectric Response},
author = {Zhu,Y. and Zhang, J. and Wu, L. and Frenkel, A. and Hanson, J. and Northrup, P. and Ku, W.},
abstractNote = {Significant nanoscale disorder of Cu and Ca atomic substitution is observed in CaCu{sub 3}Ti{sub 4}O{sub 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{sub 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.},
doi = {10.1103/PhysRevLett.99.037602},
journal = {Physical Review Letters},
number = ,
volume = 99,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}