Ab initio investigations in organic ferromagnet

Rong Tang Fu, Xiao Dong Wang, Xin Sun, Y. Kawazoe

研究成果: Article査読

抄録

" A Full Potential Linearized Augmented Plane Wave" scheme is applied to the study of the electronic and magnetic features on a simple organic ferromagnet modified by an organic high-spin segment (CH2) to trans-polyacetylene. Some physical quantities, i. e., band structure, the total and partial spin densities of states, magnetic moment and splitting energy, are shown quantitatively in our report. An anti-ferromagnetic order is expected and a specific π orbital is announced to be important for the magnetic features in an organic ferromagnet.

本文言語English
ページ数1
ジャーナルWuli Xuebao/Acta Physica Sinica
47
11
出版ステータスPublished - 1998 12 1

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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