The effect of structural ordering on the magnetic, electronic, and optical properties of the LaPbMnSbO6 double perovskite


Тип публикации: статья из журнала

Год издания: 2016

Идентификатор DOI: 10.1016/j.jallcom.2016.02.085

Ключевые слова: Ab initio calculation, Double perovskite, magnetic materials, optical properties, electronic properties, magnetic properties, Layer compound

Аннотация: The interplay between the magnetic, electronic, and optical properties and the cation structural ordering in the LaPbMnSbO6 double perovskite is studied using the Vienna Ab Initio Simulation Package (VASP). The layer and rock-salt cation ordering types are investigated. Both of them are of great importance. The rock-salt ordering oПоказать полностьюf B-site cations is one of the most frequently met cation ordering types in double perovskites; the layer ordering of both cations, which can be considered as a heterostructure, is interesting for fundamental research and experimental synthesis. It was established that the properties of the two investigated structures are strongly different. The compound with the layered structure exhibits the behavior typical of a semimetal with the ferromagnetic configuration of magnetic moments, which is unusual for a double perovskite. The rock-salt structure behaves as an antiferromagnetic insulator. Another surprising feature of the structure with the layer ordering is the coexistence of a polar phase and the metal-type conductivity. The calculated optical characteristics of the two ordered structures are compared with the experimental dates.

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Журнал: Journal of Alloys and Compounds

Выпуск журнала: Т.671, №

Номера страниц: 184-191

ISSN журнала: 09258388

Издатель: Elsevier Science Publishing Company, Inc.


  • Zhandun V.S. (Reshetnev Siberian State University of Science and Technology)
  • Zinenko V.I. (Krasnoyarsk Science Centre of the Siberian Branch of Russian Academy of Science)

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