Title |
Site preference and lattice relaxation around 4d and 5d refractory elements in Ni3Al
|
---|---|
Published in |
Journal of Synchrotron Radiation (International Union of Crystallography - IUCr), January 2016
|
DOI | 10.1107/s1600577515020688 |
Pubmed ID | |
Authors |
Ana Umićević, Heinz-Eberhard Mahnke, Jelena Belošević-Čavor, Božidar Cekić, Gerhard Schumacher, Ivan Madjarevic, Vasil Koteski |
Abstract |
X-ray absorption spectroscopy is employed to investigate site preference and lattice relaxation around Mo, Ru, Hf, W and Re dopants in Ni3Al. The site occupation preference and the measured distances between the refractory elements as dopants and the nearest host atoms are compared with the results of ab initio calculations within the density functional theory. Combined experimental and theoretical results indicate that Mo, Hf, W and Re atoms reside on the Al sublattice in Ni3Al, while Ru atoms occupy the Ni sublattice. A more pronounced lattice relaxation was detected in the case of Hf and Ru doping, with a strong outward relaxation of the nearest Ni and Al atoms. |
X Demographics
Geographical breakdown
Country | Count | As % |
---|---|---|
United Kingdom | 1 | 100% |
Demographic breakdown
Type | Count | As % |
---|---|---|
Science communicators (journalists, bloggers, editors) | 1 | 100% |
Mendeley readers
Geographical breakdown
Country | Count | As % |
---|---|---|
Unknown | 9 | 100% |
Demographic breakdown
Readers by professional status | Count | As % |
---|---|---|
Researcher | 3 | 33% |
Student > Master | 2 | 22% |
Student > Ph. D. Student | 1 | 11% |
Unknown | 3 | 33% |
Readers by discipline | Count | As % |
---|---|---|
Materials Science | 2 | 22% |
Agricultural and Biological Sciences | 1 | 11% |
Chemical Engineering | 1 | 11% |
Unknown | 5 | 56% |