First-Principles Understanding of the Anomalous Structural Change in an Expanded Liquid Alkali Metal
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- Maebashi Hideaki
- Institute for Solid State Physics, University of Tokyo
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- Takada Yasutami
- Institute for Solid State Physics, University of Tokyo
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Abstract
Based on a model derived from the first-principles Hamiltonian by treating the electron–ion pseudopotential as perturbation, we have studied the local ionic structure of an expanded liquid alkali metal to find that the distance between adjacent ions decreases despite the increase of the mean interionic distance with volume expansion. This anomalous feature of the interionic contraction, which is in quantitatively good accord with experiment for liquid Rb, is attributed to an enhanced attraction working between valence electrons in the low-density electron gas, combined with the existence of the ionic core region from which valence electrons are excluded.
Journal
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 78 (5), 053706-053706, 2009
THE PHYSICAL SOCIETY OF JAPAN
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Keywords
Details 詳細情報について
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- CRID
- 1390001204196595840
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- NII Article ID
- 130005437461
- 10025960154
- 210000107792
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- NII Book ID
- AA00704814
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- ISSN
- 13474073
- 00319015
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- NDL BIB ID
- 10225087
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- Text Lang
- en
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- Abstract License Flag
- Disallowed