Charge density distribution of the parent phase of a Cu-Al-Ni alloy by the maximum entropy method

被引：0

作者：

Kubota, Y ^{[1
]}

Kagotani, T ^{[1
]}

Kifune, K ^{[1
]}

Tadaki, T ^{[1
]}

Nishibori, E ^{[1
]}

Takata, M ^{[1
]}

Sakata, M ^{[1
]}

Nakata, Y ^{[1
]}

机构：

[1] Osaka Womens Univ, Fac Sci, Dept Environm Sci, Osaka 5900035, Japan

来源：

JAPAN INSTITUTE OF METALS, PROCEEDINGS, VOL 12, (JIMIC-3), PTS 1 AND 2: SOLID - SOLID PHASE TRANSFORMATIONS | 1999年

关键词：

charge density; maximum entropy method; D0(3)-type ordered structure; powder diffraction; Cu-Al-Ni alloy; martensitic transformation;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The charge density distribution of the D0(3)-type parent phase of a Cu-13.5A1-4.1Ni (mass%) alloy was obtained from synchrotron powder diffraction data by the maximum entropy method (MEM). In the MEM charge density map, overlapped electron densities were found between the first nearest neighbor atoms, indicating the existence of covalent bonds between Cu(1) and Cu(2) atoms and Al and Cu(2) atoms. The covalent bond was rather weaker between the unlike atoms than between the like atoms. The covalent bond between the first nearest neighbor atoms is supposed to be due the hybridization of the atomic orbitals.

引用

页码：871 / 874

页数：4

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