Magnetism in disjoint/non-disjoint composite bands |
| |
Authors: | Masashi Hatanaka |
| |
Institution: | Department of Green and Sustainable Chemistry, School of Engineering, Tokyo Denki University, 2-2 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8457, Japan |
| |
Abstract: | Non-bonding degenerate systems with disjoint/non-disjoint composite bands are suggested. In these systems, one of the non-bonding bands is disjoint, and another is non-disjoint type. Whereas the Wannier functions in the former bands span no common atoms, the Wannier functions in the latter bands span common atoms. Regardless of the disjoint bands, these systems are predicted to be ferromagnetic due to non-trivial exchange interactions in the non-disjoint bands. The ferromagnetic interactions are supported by DFT calculations. |
| |
Keywords: | Organic ferromagnets Non-bonding orbitals Wannier functions Disjoint/non-disjoint Composite bands |
本文献已被 ScienceDirect 等数据库收录! |
|