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ID 18644
本文ファイル
著者
Shimojo, Fuyuki
Zempo, Yasunari
Watabe, Mitsuo
抄録(英)
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.
掲載誌名
Physical Review B - Condensed Matter and Materials Physics
55巻
9号
開始ページ
5708
終了ページ
5711
出版年月日
1997-05-01
出版者
American Physical Society
ISSN
1098-0121
NCID
出版者DOI
言語
英語
NII資源タイプ
学術雑誌論文
広大資料タイプ
学術雑誌論文
DCMIタイプ
text
フォーマット
application/pdf
著者版フラグ
publisher
権利情報
Copyright (c) 1997 American Physical Society.
関連情報URL
部局名
総合科学研究科