| Item type |
デフォルトアイテムタイプ_（フル）(1) |
| 公開日 |
2023-03-18 |
| タイトル |
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タイトル |
First-principles molecular-dynamics simulation of liquid rubidium under high pressures |
|
言語 |
en |
| 作成者 |
Shimojo, Fuyuki
Zempo, Yasunari
Hoshino, Kozo
Watabe, Mitsuo
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| アクセス権 |
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アクセス権 |
open access |
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アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 権利情報 |
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権利情報 |
Copyright (c) 1997 American Physical Society. |
| 内容記述 |
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内容記述 |
The effects of compression on the structural and electronic properties of liquid rubidium are studied along the melting curve by means of a first-principles molecular-dynamics simulation. It is shown that the calculated pair distribution functions g(r) are in good agreement with the experimental results for a wide range of pressures; the liquid rubidium is compressed uniformly at 2.5 GPa, and there exist some deviations from the uniform compression at 6.1 GPa. This structural change to a denser state is related to an electronic s-d transition in the liquid state. It is found that, near the triple point, the electronic density of states consists mostly of the s component and, with increasing pressure, the s component decreases gradually over a wide range of energy, and the d component near the Fermi level increases. |
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言語 |
en |
| 出版者 |
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出版者 |
American Physical Society |
| 言語 |
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言語 |
eng |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| 出版タイプ |
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出版タイプ |
VoR |
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出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 関連情報 |
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識別子タイプ |
DOI |
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関連識別子 |
10.1103/PhysRevB.55.5708 |
| 関連情報 |
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識別子タイプ |
DOI |
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関連識別子 |
http://dx.doi.org/10.1103/PhysRevB.55.5708 |
| 収録物識別子 |
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収録物識別子タイプ |
ISSN |
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収録物識別子 |
1098-0121 |
| 収録物識別子 |
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収録物識別子タイプ |
NCID |
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収録物識別子 |
AA11187113 |
| 開始ページ |
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開始ページ |
5708 |
| 書誌情報 |
Physical Review B - Condensed Matter and Materials Physics
Physical Review B - Condensed Matter and Materials Physics
巻 55,
号 9,
p. 5708-5711,
発行日 1997-05-01
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| 旧ID |
18644 |
PhysRevB_55_5708.pdf (73.6 KB)
