抄録
The electronic structure and the magnetic property of stacked diphenylcarbene polymer have been theoretically studied using the unrestricted Hartree-Fock crystal orbital method. It has been revealed that the ferromagnetic interplane interaction is anticipated for the translation pitch angles of θ=60° and 180° to give ferromagnetic array throughout the polymer in contrast with the antiferromagnetic interaction for θ = 120°. Futhermore, more realistic polymer conformation based on the observed polycrystalline structure of diphenylcarbene derivatives was also examined.
| 本文言語 | 英語 |
|---|---|
| ページ（範囲） | 1-8 |
| ページ数 | 8 |
| ジャーナル | Synthetic Metals |
| 巻 | 44 |
| 号 | 1 |
| DOI | |
| 出版ステータス | 出版済み - 7月 1991 |
| 外部発表 | はい |
!!!All Science Journal Classification (ASJC) codes
- 電子材料、光学材料、および磁性材料
- 凝縮系物理学
- 材料力学
- 機械工学
- 金属および合金
- 材料化学