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

A. M. Bratkovsky, Sergey Rashkeev

Research output: Contribution to journalArticle

4 Citations (Scopus)

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

Fingerprint

electronic structure
optical properties
energy
energy dissipation
reflectance
probes
oxygen
approximation
crystals

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

The electronic structure and optical properties of Ba1-xKxBiO3 and BaPb1-xBixO3 superconducting systems. / Bratkovsky, A. M.; Rashkeev, Sergey.

In: Physics Letters A, Vol. 142, No. 2-3, 04.12.1989, p. 172-178.

Research output: Contribution to journalArticle

@article{48f35ebd944a4cb58d59e7afed2f1fc4,
title = "The electronic structure and optical properties of Ba1-xKxBiO3 and BaPb1-xBixO3 superconducting systems",
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.",
author = "Bratkovsky, {A. M.} and Sergey Rashkeev",
year = "1989",
month = "12",
day = "4",
language = "English",
volume = "142",
pages = "172--178",
journal = "Physics Letters, Section A: General, Atomic and Solid State Physics",
issn = "0375-9601",
publisher = "Elsevier",
number = "2-3",

}

TY - JOUR

T1 - The electronic structure and optical properties of Ba1-xKxBiO3 and BaPb1-xBixO3 superconducting systems

AU - Bratkovsky, A. M.

AU - Rashkeev, Sergey

PY - 1989/12/4

Y1 - 1989/12/4

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=45249130822&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=45249130822&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:45249130822

VL - 142

SP - 172

EP - 178

JO - Physics Letters, Section A: General, Atomic and Solid State Physics

JF - Physics Letters, Section A: General, Atomic and Solid State Physics

SN - 0375-9601

IS - 2-3

ER -