Lattice dynamics calculation of infrared active modes of cuprate superconductors

T. Hasegawa, N. Ogita, T. Kondo, H. Kawashima, Jun Akimitsu, M. Udagawa

Research output: Contribution to journalArticle

Abstract

We have calculated the highest-energy infrared active Eu mode for three cuprate compounds with and without apical ions, in order to investigate the experimental energy-difference between T- and T-structures. The calculated energies show the similar Cu-O bond length dependence to the experimental results. The calculated spin densities of the T-structure have more electrons in the dx2 - y2 orbital than that of the T-structure. This means that the CuO2 plane in the T-structure is compressed, in comparison with the T-structure even with the same Cu-O bond length. This compression increases the energy of the Eu mode in the T-structure. This is the clear evidence that the block layer is important for the electronic state on the CuO2 plane.

Original languageEnglish
Pages (from-to)86-88
Number of pages3
JournalPhysica B: Condensed Matter
Volume383
Issue number1
DOIs
Publication statusPublished - Aug 15 2006
Externally publishedYes

Fingerprint

Lattice vibrations
Bond length
cuprates
Infrared radiation
Electronic states
Ions
energy
Electrons
orbitals
Cuprate superconductors
electronics
ions
electrons

Keywords

  • Ab initio calculation
  • Apical oxygen
  • Cuprate
  • Phonon

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Lattice dynamics calculation of infrared active modes of cuprate superconductors. / Hasegawa, T.; Ogita, N.; Kondo, T.; Kawashima, H.; Akimitsu, Jun; Udagawa, M.

In: Physica B: Condensed Matter, Vol. 383, No. 1, 15.08.2006, p. 86-88.

Research output: Contribution to journalArticle

Hasegawa, T. ; Ogita, N. ; Kondo, T. ; Kawashima, H. ; Akimitsu, Jun ; Udagawa, M. / Lattice dynamics calculation of infrared active modes of cuprate superconductors. In: Physica B: Condensed Matter. 2006 ; Vol. 383, No. 1. pp. 86-88.
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AU - Udagawa, M.

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