ISSN:
1013-9826
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
Atomistic mechanisms that restrain diffusion of oxygen vacancies in BaTiO3 doped with rare earthions as donors were analyzed using molecular dynamics simulation. It was confirmed that formationof cation vacancies and reduction of lattice volume are sources of resistance for the diffusion. Thecation vacancies trap the oxygen vacancies at the nearby O2- sites by an attractive force associatedwith Coulombic interaction. In contrast, the rare earth ions repel the oxygen vacancies, whichmigrate via O2- sites, and accelerate the diffusion. This is one of the factors that determine therestraint behavior of the diffusion, which depends on the type of rare earth ion in BaTiO3-basedmaterials
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/01/57/transtech_doi~10.4028%252Fwww.scientific.net%252FKEM.388.269.pdf
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