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Correlation between ferroelectricity and electronic density of states near the Fermi level in BaTiO~3~ by M. Hidaka; N. Tokiwa; S. Takahashi; J.-Y. Choi; J. M. Lee is a Physics and Astronomy article available to read on EtoBox.

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## Abstract The electronic density of states in BaTiO~3~ is studied by means of X‐ray absorption near‐edge structure in a vicinity of a Ti K edge and Ba L edges. A 4pπ band of the Ti ion and a 5dπ band of the Ba ion having a high‐density unoccupied state occupy a level just above the Fermi level (__E__~F~). The pre‐edge peaks give that, in addition to an O^2−^ 2p valence band, the electronic density of states below __E__~F~ are composed of negative‐charge‐transfer bands 3d^1^, 3d^1^$ \underline {\rm L} $ and 3d^2^$ \underline {\rm L} $^2^ of Ti ions and 4f^1^, 4f^1^$ \underline {\rm L} $ and 4f^2^$ \underline {\rm L} $^2^ of Ba ions. The 3d^1^, 3d^1^$ \underline {\rm L} $ and 3d^2^$ \underline {\rm L} $^2^ bands of Ti ions gives that a mixture of the different oxidation states Ti^2+^ and Ti^3+^ is present in addition to Ti^4+^. The 4f^1^, 4f^1^$ \underline {\rm L} $ and 4f^2^$ \underline {\rm L} $^2^ bands are induced by a hybridization between Ba^2+^ 4d and O^2–^ 2p orbitals via an electronic configuration interaction between the 4f and 4d orbitals of the Ba ion. The disappearance of the 4f^1^, 4f^1^$ \underline {\rm L} $ and 4f^2^$ \underline {\rm L} $^2^ bands in the ferroelectr

Who reads Correlation between ferroelectricity and electronic density of states near the Fermi level in BaTiO~3~?

Author

M. Hidaka; N. Tokiwa; S. Takahashi; J.-Y. Choi; J. M. Lee

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 0370-1972)

Published

2004

Language

EN

Field

Physics and Astronomy (Physical Sciences)