Abstract
AbstractBarium titanate is the dielectric material of choice in most multilayer ceramic capacitors (MLCCs) and thus in the production of ≈3 trillion devices every year, with an estimated global market of ≈$8330 million per year. Rare earth dopants are regularly used to reduce leakage currents and improve the MLCC lifetime. Simulations are used to investigate the ability of yttrium, dysprosium, and gadolinium to reduce leakage currents by trapping mobile oxygen defects. All the rare earths investigated trap oxygen vacancies, however, dopant pairs are more effective traps than isolated dopants. The number of trapping sites increases with the ion size of the dopant, suggesting that gadolinium should be more effective than dysprosium, which contradicts experimental data. Additional simulations on diffusion of rare earths through the lattice during sintering show that dysprosium diffuses significantly faster than the other rare earths considered. As a consequence, its greater ability to reduce oxygen migration is a combination of thermodynamics (a strong ability to trap oxygen vacancies) and kinetics (sufficient distribution of the rare earth in the lattice to intercept the migrating defects).
Highlights
Dopant pairs are more effective traps than isolated dopants
We have used simulations to demonstrate why Dy3+ is the most effective rare earth (RE) ion to use for improving the lifetime of BaTiO3based capacitors
Its ability to trap oxide vacancies is a combination of defect chemistry and diffusion behavior
Summary
Dopant pairs are more effective traps than isolated dopants. The and molecular docking processes[5,6] and number of trapping sites increases with the ion size of the dopant, suggesting that gadolinium should be more effective than dysprosium, which contradicts experimental data. Additional simulations on diffusion of rare earths through recently diffusion processes,[7] providing new insight at the atomic level into complex physics and chemistry We use it here to investigate how rare earth (RE) dopants the lattice during sintering show that dysprosium diffuses significantly faster than the other rare earths considered. As a lation is a powerful tool for providing detailed information on consequence, BaTiO3 is frequently doped with RE3+ ions to trap the equilibrium geometry and energetics of the defects. Their the mobile oxygen defects and so improve its electrical properdistribution often controls their effectiveness within the mate- ties for MLCC applications.[11] The incorporation of these ions rial. Traditional simulation, struggles with modeling affects the microstructure of the ceramic, producing core–shell some kinetics, diffusion in solid state systems where grain structures that improve the temperature dependence of capacitance for MLCCs[12] as well as their electrical stability
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
