Data, Python Script and Results for Calculation of Dielectric Functions of Plasmonic Nanoparticles of Noble Metals, Magnesium and Their Alloys
- *.cif -- files describing crystal structure of compounds. Originally downloaded from [Crystallography Open Database](http://www.crystallography.net/cod/); - *.xyz -- sample atomic structures of random AuxAg1-x alloy; - *.py -- python script for calculation of dielectric function. Requires ASE and...
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Format: | Dataset |
Sprache: | eng |
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Zusammenfassung: | - *.cif -- files describing crystal structure of compounds. Originally downloaded from [Crystallography Open Database](http://www.crystallography.net/cod/); - *.xyz -- sample atomic structures of random AuxAg1-x alloy; - *.py -- python script for calculation of dielectric function. Requires ASE and GPAW libraries; - df_*.dat -- resulted dielectric functions calculated using LDA+U approach. - other *.dat -- reference dielectric functions data. Originally downloaded from [Refractive Index Database](https://refractiveindex.info) |
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DOI: | 10.17632/5cw4fcc296.2 |