Structural modification of thin Bi(1 1 1) films by passivation and native oxide model
The structure of thin terminated Bi(1 1 1) films of approximately 1nm thickness is investigated from first principles. Our density functional theory calculations show that covalent bonds to the surface can change the orientation of the films completely. For thicker films, the effect is limited to th...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2019
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| Online Access: | https://eprints.nottingham.ac.uk/57109/ |