The calculation of electronic properties of nickel-phosphorus amorphous alloys
We have simulated the Ni-P amorphous alloy system for several concentrations ($Ni\sb{75}P\sb{25}$, $Ni\sb{80}P\sb{20}$, and $Ni\sb{85}P\sb{15}$), and have calculated the electronic properties of these. The simulated atoms are spread randomly in a periodically repeated cubic cell under the restrictio...
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| Format: | Dissertation |
| Language: | English |
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ProQuest Dissertations & Theses
01-01-1990
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| Online Access: | Get full text |
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| Summary: | We have simulated the Ni-P amorphous alloy system for several concentrations ($Ni\sb{75}P\sb{25}$, $Ni\sb{80}P\sb{20}$, and $Ni\sb{85}P\sb{15}$), and have calculated the electronic properties of these. The simulated atoms are spread randomly in a periodically repeated cubic cell under the restriction that no pairs can be closer than a given hard sphere diameter. The points are then relaxed to get a minimum energy configuration. We have used linearized KKR band theory to calculate the electronic properties. We have calculated total density of states, component and angular momentum decomposed density of states, degree of localization, and current matrix elements for the electrons. We also have calculated the electrical resistivity and reflectivity as a function of frequency and concentration by using the Kubo formula. Finally we have compared our calculated results with experiment and results obtained from the effective medium approximation. |
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| ISBN: | 9798207165455 |