Natural surface oxidation consideration in first principles modeling of the X-ray absorption near edge fine structure of silicon
First-principles calculations of the electronic structure of crystalline silicon and its dioxide were performed on the basis of the density functional theory. The full-potential linearized augmented plane waves method was used with the generalized gradient approximation for the exchange-correlation...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-02-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379720321884 |