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.
|ジャーナル||Physical Review B - Condensed Matter and Materials Physics|
|出版ステータス||Published - 1998 1 1|
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