The full-potentail LAPW band calculation in paramagnetic state is carried out for hypothetical square lattices of H2NO chains by assuming two kinds of stacking of H2NO molecule: face-to-face stacking and anti-phase alternating stacking. In the former case the ferromagnetic state is never expected to be realized, but in the latter case there is a possibility of appearance of ferromagnetic phase.
|ジャーナル||Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals|
|出版ステータス||Published - 1995 9 1|
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