Visualization of the atomic structure of solid solutions with the NaCl structure / Babanov Yu. A.,Ponomarev D. A.,Ustinov V. V. // PHYSICS OF THE SOLID STATE. - 2015. - V. 57, l. 4. - P. 717-721.

ISSN/EISSN:

1063-7834 / 1090-6460

Type:

Article

Abstract:

It has been shown how an atomic cluster for a solid solution with a rock salt structure can be constructed using the Pauling model. Simulation has been performed for 343000 ions of Ni (x) Zn1 - x O-3 (x = 0, 0.3, 0.5, 0.7, 1.0) oxide substitutional solid solutions. Coordinates of all cluster ions are obtained and distribution functions of ion pairs (Ni-O, Ni-Ni, Ni-Zn, Zn-Zn, Zn-O, O-O) are constructed as functions of distance. The shape of the normal distribution indicates the existence of bounded chaos in the system of oxide solid solutions. The width of the Gaussian distribution function is determined by the difference of metal ionic radii. The results are in agreement with both X-ray diffraction and EXAFS spectroscopy data.

Author keywords:

нет данных

DOI:

10.1134/S106378341504006X

Web of Science ID:

ISI:000352906700010

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	APR
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
EISSN	1090-6460
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	babanov@imp.uran.ru
ResearcherID-Numbers	Ustinov, Vladimir/G-7501-2011 Ponomarev, Dmitry/J-5647-2013 Babanov, Yuri/J-5549-2013
ORCID-Numbers	Ustinov, Vladimir/0000-0002-5155-7947 Ponomarev, Dmitry/0000-0002-0663-3699
Funding-Acknowledgement	basic research program of the Presidium of the Russian Academy of Sciences ``Basic Research of Nanotechnologies and Nanomaterials{''} {[}12-P-2-1032]; Russian Foundation for Basic Research {[}14-22-01063\_ofi-m, 15-02-01674-a]; Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools {[}NSh-1540.2014.2]
Funding-Text	This study performed within the state contract Spin RK-01201463330 was supported by the basic research program of the Presidium of the Russian Academy of Sciences ``Basic Research of Nanotechnologies and Nanomaterials{''} (project no. 12-P-2-1032), the Russian Foundation for Basic Research (project nos. 14-22-01063\_ofi-m and 15-02-01674-a), and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools (grant no. NSh-1540.2014.2).
Number-of-Cited-References	6
Usage-Count-Since-2013	5
Journal-ISO	Phys. Solid State
Doc-Delivery-Number	CF9SK