Theoretical studies of the molecular and electronic structures of polyarsine

Kyozaburo Takeda; Kenji Shiraishi

doi:10.1103/PhysRevB.57.6989

Theoretical studies of the molecular and electronic structures of polyarsine

Kyozaburo Takeda, Kenji Shiraishi

School of Advanced Science and Engineering

Research output: Contribution to journal › Article › peer-review

4 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 language	English
Pages (from-to)	6989-6997
Number of pages	9
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	57
Issue number	12
DOIs	https://doi.org/10.1103/PhysRevB.57.6989
Publication status	Published - 1998 Jan 1

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.57.6989

Cite this

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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.",

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AB - 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.

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Theoretical studies of the molecular and electronic structures of polyarsine

Abstract

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