Abstract
We study silicene on hexagonal boron nitride, using first-principles calculations. Since hexagonal boron nitride is semiconducting, the interaction with silicene is weaker than for metallic substrates. It therefore is possible to open a 50 meV band gap in the silicene. We further address the effect of Mn decoration by determining the onsite Hubbard interaction parameter, which turns out to differ significantly for decoration at the top and hollow sites. The induced magnetism in the system is analyzed in detail.
| Original language | British English |
|---|---|
| Article number | 235418 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 88 |
| Issue number | 23 |
| DOIs | |
| State | Published - 17 Dec 2013 |
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