The electronic structure and optical properties of Ba1-xKxBiO3 and BaPb1-xBixO3 superconducting systems

A. M. Bratkovsky, Sergey Rashkeev

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Abstract

The band structure results for ordered Ba0.67K0.33BiO3 and Ba0.5K0.5BiO3 supercells together with BaPb1-xBiO3 treated in the virtual crystal approximation are presented. The supercell model used leads to peculiarities in the electron density of states (DOS) at about 1 eV below EF reflecting the superstructure ordering introduced in the calculation. The effect becomes less prominent after averaging over different oxygen sites in correspondence with the experimental situation. The positions of the main peaks in the calculated reflectivity spectra are in good agreement with available data in the energy region 0-20 eV for BaPb1-xBixO3 (x=0.27). The presence of a low-energy plasmon in the energy loss spectrum (at the energy 1-2 eV) is a sensitive probe for possible ordering in Ba1-xKxBiO3 alloys.

Original languageEnglish
Pages (from-to)172-178
Number of pages7
JournalPhysics Letters A
Volume142
Issue number2-3
Publication statusPublished - 4 Dec 1989
Externally publishedYes

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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