Calculations of Mössbauer parameters in solids by DFT bandstructure calculations
نویسندگان
چکیده
منابع مشابه
Calculations of Mössbauer parameters in solids by DFT bandstructure calculations
A short introduction to periodic bandstructure methods suitable for the calculation of Mössbauer parameters is presented. These methods are based on density functional theory (because we want to treat big and complicated systems) and must be accurate not only in the bonding region (like pseudopotential approaches), but also near the atomic nuclei since Mössbauer parameters depend crucially on t...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2010
ISSN: 1742-6596
DOI: 10.1088/1742-6596/217/1/012009