Structural changes of short- and intermediate-range order in liquid arsenic under pressure

Satoshi Ohmura, Ayano Chiba, Yasuyuki Yanagawa, Akihide Koura, Kazuhiko Tsuji, Fuyuki Shimojo

研究成果: Article

3 引用 (Scopus)

抄録

The pressure dependence of the structural properties of liquid arsenic (l-As) is studied in detail by ab initio molecular dynamics simulations and X-ray diffraction experiments. In this study, we have clarified that network structures consisting mainly of As4 units exist at lower pressures and that the correlation between the As4 units is the origin of an intermediate-range order, which is seen as a prepeak of the static structure factor. When the pressure increases, the intermediate-range order disappears and structural change occurs gradually. At approximately 7 GPa, the pair distribution function and the bond angle distribution show some similarities to those of the simple cubic structure as seen in the high-pressure phase of crystalline As.

元の言語English
記事番号094602
ジャーナルJournal of the Physical Society of Japan
84
発行部数9
DOI
出版物ステータスPublished - 2015 9 15

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arsenic
pressure dependence
low pressure
distribution functions
molecular dynamics
liquids
diffraction
x rays
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

これを引用

Structural changes of short- and intermediate-range order in liquid arsenic under pressure. / Ohmura, Satoshi; Chiba, Ayano; Yanagawa, Yasuyuki; Koura, Akihide; Tsuji, Kazuhiko; Shimojo, Fuyuki.

:: Journal of the Physical Society of Japan, 巻 84, 番号 9, 094602, 15.09.2015.

研究成果: Article

Ohmura, Satoshi ; Chiba, Ayano ; Yanagawa, Yasuyuki ; Koura, Akihide ; Tsuji, Kazuhiko ; Shimojo, Fuyuki. / Structural changes of short- and intermediate-range order in liquid arsenic under pressure. :: Journal of the Physical Society of Japan. 2015 ; 巻 84, 番号 9.
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