Simulation of the Atomic Structure and Distribution of Vacancies in the Ionic Conductor LaxCe1/2 – xLixTiO3
The atomic and electronic structure of the ion conductor La0.25Ce0.25Li0.25TiO3 with ab-initio method FLAPW-GGA was studied. The pair interaction potentials of lithium ions were obtained. Dependences of the concentration of vacancies on the concentration of lithium ions at different temperatures in...
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| Format: | Article |
| Language: | English |
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Sumy State University
2014-01-01
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| Series: | Журнал нано- та електронної фізики |
| Subjects: | |
| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2013/4/articles/jnep_2013_V5_04078.pdf |
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