Theoretical studies of the molecular and electronic structures of polyarsine

Kyozaburo Takeda, Kenji Shiraishi

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The electronic and polymeric structures of the ladder polyarsine (PAs) have been theoretically investigated based on first-principles electronic structure calculations. The isolated PAs ladder chain prefers to be planar. The laddering causes the band overlap among the valence band and conduction band, and produces a metallic electronic structure by the help of the excess electrons of As atoms.

Original languageEnglish
Pages (from-to)6989-6997
Number of pages9
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume57
Issue number12
DOIs
Publication statusPublished - 1998 Jan 1

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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