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Online ISSN : 1880-9413
Print ISSN : 0559-8516
ISSN-L : 0559-8516
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Density Functional Theory Investigation of One-Dimensional Organic-Metallic Multiple-Decked Sandwich Model
Md. Mahmudur RAHMANRifki MUHIDAWilson Agerico DIÑOHiroshi NAKANISHIHideaki KASAI
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2005 年 48 巻 3 号 p. 232-234

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We investigate electric and magnetic properties of a benzene-iron complex chain [Fe(C6H6)]. By performing first principles calculation based on the spin-polarized density functional theory, we find that this system shows semiconducting behavior having magnetic moment. We also show that this system is stable due to the Fe atom.
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© 2005 by The Vacuum Society of Japan
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