First principles study of electric and magnetic properties of benzene-iron multiple-decked sandwich chain
College
College of Science
Department/Unit
Physics
Document Type
Article
Source Title
Journal of the Physical Society of Japan
Volume
75
Issue
11
Publication Date
1-11-2006
Abstract
We investigate electric and magnetic properties of a benzene-iron multiple-decked sandwich chain [Fe(C6H6)] ∞. By performing first principles calculation based on the density functional theory, we find that the system [Fe(C6H 6)]∞ is stable and has no magnetic moment for which the two succeeding iron atoms are antiferromagnetically arranged. We propose a superexchange interaction mechanism for this antiferromagnetic order. ©2006 The Physical Society of Japan.
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Digitial Object Identifier (DOI)
10.1143/JPSJ.75.114714
Recommended Citation
Rahman, M., Muhida, R., Dy, E. S., Mozo, R., & Kasai, H. (2006). First principles study of electric and magnetic properties of benzene-iron multiple-decked sandwich chain. Journal of the Physical Society of Japan, 75 (11) https://doi.org/10.1143/JPSJ.75.114714
Disciplines
Physics
Keywords
Antiferromagnetism; Density functionals
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