Covalency of Valence Electrons in Liquid Silicon: A Direct X-ray Compton Scattering Measurement

液态硅中价电子的共价性：直接 X 射线康普顿散射测量

• 批准号: 20760504
• 负责人: OKADA Junpei
• 金额: $ 2.33万
• 依托单位: Japan Aerospace Exploration Agency
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (B)
• 财政年份: 2008
• 资助国家: 日本
• 起止时间: 2008 至 2009
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20760504/
• 关键词: 融体; 凝固; 電子構造; シリコン; コンプトン散乱測定; 静電浮遊法; コンプトン散乱; 静電浮遊; 電子運動量密度分布; 共有結合

We have measured a Compton profile of liquid silicon with an electrostatic levitator and found that the Compton profile is much the same as that of solid silicon. Despite its metallic nature, the obtained Compton profile is largely different from that of an interacting free-electron gas with the same valence-electron density. Analysis of the Compton profile of liquid Si using Car-Parrinello Molecular Dynamics simulation shows the existence of covalent bonds in liquid silicon, which has been predicted by first-principles molecular dynamics simulation.

我们用静电悬浮器测量了液态硅的康普顿分布，发现它与固态硅的康普顿分布基本相同。尽管它的金属性质，所获得的康普顿轮廓是很大程度上不同于具有相同的价电子密度的相互作用的自由电子气体。采用Car-Parrinello分子动力学模拟方法对液态硅的康普顿分布进行了分析，结果表明液态硅中存在共价键，这与第一性原理分子动力学模拟结果一致。

项目成果

Thermophysical Property Measurements of High Temperature Melts Using an Electrostatic Levitation Method

使用静电悬浮法测量高温熔体的热物理性质

• 发表时间: 2011
• 期刊: Japan Journal of Applied Physics
• 作者: T. Ishikawa;J. T. Okada;P.-F. Paradis;Y. Watanabe
• 通讯作者: Y. Watanabe

クラスタ-液体の構造と物性-正20面体準結晶と正20面体ボロン-

团簇-液体的结构和物理性质-二十面体准晶体和二十面体硼-

• 发表时间: 2009
• 作者: J.T.Okada;T.Ishikawa;P.-F.Paradis;S.Yoda;岡田純平;岡田純平
• 通讯作者: 岡田純平

Surface tension and viscosity of molten vanadium measured with an electrostatic levitation furnace

• DOI: 10.1016/j.jct.2010.02.008
• 发表时间: 2010-07-01
• 期刊: JOURNAL OF CHEMICAL THERMODYNAMICS
• 影响因子: 2.6
• 作者: Okada, Junpei T.;Ishikawa, Takehiko;Paradis, Paul-Francois
• 通讯作者: Paradis, Paul-Francois

Noncontact thermophysical property measurement of liquid cerium by electrostatic levitation

静电悬浮非接触液态铈热物性测量

• DOI: 10.1557/jmr.2009.0278
• 发表时间: 2009-07
• 期刊: Journal of Materials Research
• 影响因子: 2.7
• 作者: Yuan, Zhangfu;Li, Jianqiang;Ishikawa, Takehiko;Yu, Ji;ing;Yoda, Shinichi;Watanabe, Yuki;Okada, Junpei T.
• 通讯作者: Okada, Junpei T.

Thermophysical Property Measurements of Liquid Gadolinium by Containerless Methods

• DOI: 10.1007/s10765-010-0721-0
• 发表时间: 2010-03
• 期刊: International Journal of Thermophysics
• 影响因子: 2.2
• 作者: T. Ishikawa;J. Okada;P. Paradis;Y. Watanabe