Electronic Structure and Energetics of MgB_2 Nanotube(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
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概要
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We study the energetics and the electronic structure of MgB_2 nanotubes in the framework of the density-functional theory. It is found that in the case of (4, 4) nanotube the presence of the outer Mg layer stabilizes the hexagonal-network boron nanotube which is otherwise unstable. Although the number of valence electrons are equivalent, MgB_2 nanotubes are electronically different from carbon nanotubes. Its electronic band structure is found to be modified by Mg due to hybridization and to have a as well as σ states at the Fermi level as in the case of bulk superconducting MgB_2. Interestingly, (4,4) MgB_2 nanotube is found to be energetically lower than an isolated MgB_2 sheet.
- 社団法人日本物理学会の論文
- 2007-04-15
著者
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SAITO Susumu
Department of Immunology and Parasitology, Yamagata University School of Medicine
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Louie Steven
Department Of Physics University Of California:materials Sciences Division Lawrence Berkeley Nationa
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Louie Steven
Department Of Microbiogy The University Of Iowa
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Cohen Marvin
Department Of Discovery Medicine And Clinical Pharmacology Bristol-myers Squibb
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Cohen Marvin
Department Of Physics University Of California:materials Sciences Division Lawrence Berkeley Nationa
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Saito Susumu
Department Of Physics Tokyo Institute Of Technology
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Saito Susumu
Department Of Applied Physics Faculty Of Engineering The University Of Tokyo
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