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
    Publication statusPublished - 1998 Mar 15

    Fingerprint

    Ladders
    Molecular structure
    Electronic structure
    molecular structure
    electronic structure
    ladders
    Valence bands
    Conduction bands
    Atoms
    Electrons
    conduction bands
    valence
    causes
    atoms
    electrons

    ASJC Scopus subject areas

    • Condensed Matter Physics

    Cite this

    Theoretical studies of the molecular and electronic structures of polyarsine. / Takeda, Kyozaburo; Shiraishi, Kenji.

    In: Physical Review B - Condensed Matter and Materials Physics, Vol. 57, No. 12, 15.03.1998, p. 6989-6997.

    Research output: Contribution to journalArticle

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