Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations
The hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account...
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| Format: | Article |
| Language: | English |
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Sciendo
2016-09-01
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| Series: | Materials Science-Poland |
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| Online Access: | https://doi.org/10.1515/msp-2016-0073 |