First-Principles Study of Properties of Alpha Uranium Crystal and Seven Alpha Uranium Surfaces
First-principles calculation based on the GGA methods has been applied to the prediction of the properties of bulk α-uranium and seven α-uranium surfaces. The number of layers in the slab has great effects on the simulated surface properties. The predicted surface properties are trustworthy when the...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2017-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2017/8618340 |