Two-electron states in Ba0.6K0.4BiO3 via discretized path integral molecular dynamics

C. Y. Lee, Pierre A Deymier

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

We report for the calculation of the electronic singlet and triplet states in Ba0.6K0.4BiO3 by a discretized path integral molecular dynamics which includes quantum indistinguishability. We show that two nonpolarized electrons form a bound complex within a single Bi ion. Two polarized electrons are located on different Bi sites. The singlet-triplet splitting is found to be ∼0.6 eV.

Original languageEnglish (US)
Pages (from-to)653-657
Number of pages5
JournalSolid State Communications
Volume102
Issue number9
StatePublished - Jun 1997

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electron states
Electron energy levels
Molecular dynamics
molecular dynamics
Electrons
atomic energy levels
electrons
Ions
electronics
ions

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Two-electron states in Ba0.6K0.4BiO3 via discretized path integral molecular dynamics. / Lee, C. Y.; Deymier, Pierre A.

In: Solid State Communications, Vol. 102, No. 9, 06.1997, p. 653-657.

Research output: Contribution to journalArticle

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