Origin of Anomalous Lattice Expansion in Oxide Nanoparticles

S. Tsunekawa, K. Ishikawa, Z.-Q. Li, Y. Kawazoe, and A. Kasuya
Phys. Rev. Lett. 85, 3440 – Published 16 October 2000; Erratum Phys. Rev. Lett. 89, 249905 (2002)
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Abstract

Anomalous lattice expansions have been measured for the first time in monodisperse CeO2x nanoparticles and in BaTiO3 single nanoparticles by electron diffraction. X-ray photoelectron spectroscopy studies on CeO2x nanoparticles and ab initio computer simulation on BaTiO3 clusters show that the origin of expansion is the decrease of electrostatic force caused by valence reduction of Ce ions and the increase in ionicity of Ti ions, respectively. The lattice constant change of oxide (ionic) nanoparticles with the increase in ionicity would depend on the structure of the particles. Hence, first-principles calculations of large ionic clusters are indispensable.

  • Received 16 May 2000

DOI:https://doi.org/10.1103/PhysRevLett.85.3440

©2000 American Physical Society

Erratum

Erratum: Origin of Anomalous Lattice Expansion in Oxide Nanoparticles [Phys. Rev. Lett. 85, 3440 (2000)]

S. Tsunekawa, K. Ishikawa, Z.-Q. Li, Y. Kawazoe, and A. Kasuya
Phys. Rev. Lett. 89, 249905 (2002)

Authors & Affiliations

S. Tsunekawa1,*, K. Ishikawa2, Z.-Q. Li3, Y. Kawazoe1, and A. Kasuya4

  • 1Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan
  • 2Research Institute of Electronics, Shizuoka University, Hamamatsu 432-8011, Japan
  • 3Steacie Institute for Molecular Sciences, National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario, Canada K1A OR6
  • 4Center for Interdisciplinary Research, Tohoku University, Sendai 980-8578, Japan

  • *Corresponding author. Email address: scorpion@lexus.imr.tohoku.ac.jp

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Vol. 85, Iss. 16 — 16 October 2000

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