Theoretical Possibility of the Spin Multi-Phases in the Heteroatom-Eaten π Network System

Norihiko Takahashi, Kyozaburo Takeda

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    Abstract

    We have theoretically investigated a possible spin ground-state in the heteroatom-eaten π conjugated system. Deficient π electrons in this system function as a spin hole for the ground spin-configuration. The various spin ground-states, such as singlet (lower) and triplet (higher) ones are theoretically predicted. Furthermore, these π spin holes have a potential to induce a singlet-triplet instability.

    Original languageEnglish
    Pages (from-to)2295-2303
    Number of pages9
    JournalJournal of the Physical Society of Japan
    Volume71
    Issue number9
    DOIs
    Publication statusPublished - 2002 Sep

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    Keywords

    • π spin hole
    • Heteroatom-eaten π network system
    • Singlet-triplet instability
    • Spin multi-phases

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

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