Energy band modulation of graphane by hydrogen-vacancy chains: A first-principles study
We investigated a variety of configurations of hydrogen-vacancy chains in graphane by first-principles density functional calculation. We found that graphane with two zigzag H-vacancy chains segregated by one or more H chain is generally a nonmagnetic conductor or has a negligible band gap. However,...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2014-08-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4893771 |