Electronic Structures of Newly Predicted Intercalation Compounds “Lithium Intercalated α-Boron”
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- Gunji Shigeki
- Department of Applied Physics, Science University of Tokyo
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- Kamimura Hiroshi
- Department of Applied Physics, Science University of Tokyo
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- Nakayama Takashi
- Department of Physics, Chiba University
Bibliographic Information
- Other Title
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- Electronic Structures of Newly Predicte
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Abstract
New types of intercalation compounds by intercalating lithium atoms into semiconducting α-rhombohedral boron are predicted theoretically, based on the ab initio total-energy pseudopotential calculations in the local density approximation. A novel interesting feature of these new materials is to exhibit a possibility that both donor- and acceptor-type metallic compounds are obtained from the same species of intercalant atom, depending on the positions of an intercalant. It is shown by the total energy calculations that donor-type compound in which Li are intercalated into the center of a rhombohedral unit cell is the most stable.
Journal
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 62 (7), 2408-2418, 1993
THE PHYSICAL SOCIETY OF JAPAN
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Details 詳細情報について
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- CRID
- 1390282679155210624
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- NII Article ID
- 110001956057
- 130003902066
- 210000097480
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- NII Book ID
- AA00704814
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- BIBCODE
- 1993JPSJ...62.2408G
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- COI
- 1:CAS:528:DyaK3sXmtlCgtbg%3D
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- ISSN
- 13474073
- 00319015
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- NDL BIB ID
- 3834280
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- Text Lang
- en
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed