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First principles calculations of hyperfine parameters on the Ca manganite with substitutional Cd-modeling of a PAC experiment
The APW + lo (augmented plane waves + local orbitals) method of density functional theory, as implemented in the Wien2k code, is applied to calculate the electric field gradient of manganites. We report the first principles calculations on CaMnO3, and modeling of a perturbed angular correlation expe...
| Autores principales: | , , , , , |
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| Lenguaje: | eng |
| Publicado: |
2010
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| Materias: | |
| Acceso en línea: | https://dx.doi.org/10.1016/j.jmmm.2009.06.079 http://cds.cern.ch/record/1359376 |