ANALYSIS OF THE STRUCTURAL PROPERTIES IN ERBIUM DOPED BARIUM TITANATE BY MOLECULAR DYNAMICS SIMULATIONS

Authors

  • Lic. Yohandys Alexis Zulueta Leyva Facultad de Ciencias Naturales, Universidad de Oriente. Santiago de Cuba
  • Dr. Yurimiler Leyet Ruiz Facultad de Ciencias Naturales, Universidad de Oriente. Santiago de Cuba
  • Dr. Jose Anglada-Rivera Instituto Federal de Educação Ciência e Tecnologia (IFAM). AM, Brasil
  • Dr. Fidel Guerrero Zayas CESI, Universidade do Estado do Amazonas. Amazonas, Brasil

Abstract

Atomic simulation has been used to study mechanisms of incorporation of the Erbium in the crystalline structure of Barium Titanate. The static and dynamic aftermath of simulations predict the existence of a new mechanism of incorporation; which suggests the existence of this mixed mechanism of car compensation of loads, like an additional source of vacancies of oxygen in the crystalline structure,
and another possible origin of dielectric anomaly present in this material.
Keywords: barium titanate, microstructure, incorporation mechanism.

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Published

2015-11-10

How to Cite

Zulueta Leyva, L. Y. A., Leyet Ruiz, D. Y., Anglada-Rivera, D. J., & Guerrero Zayas, D. F. (2015). ANALYSIS OF THE STRUCTURAL PROPERTIES IN ERBIUM DOPED BARIUM TITANATE BY MOLECULAR DYNAMICS SIMULATIONS. Revista Cubana De Química, 24(3), 261–265. Retrieved from https://cubanaquimica.uo.edu.cu/index.php/cq/article/view/370

Issue

Vol. 24 No. 3 (2012)

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Artículos

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