Electronic properties of Mn-decorated silicene on hexagonal boron nitride
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ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2013-12-17Preprint Posting Date
2013-11-05Permanent link to this record
http://hdl.handle.net/10754/315799
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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.Citation
Kaloni T, Gangopadhyay S, Singh N, Jones B, Schwingenschlögl U (2013) Electronic properties of Mn-decorated silicene on hexagonal boron nitride. Phys Rev B 88. doi:10.1103/PhysRevB.88.235418.Publisher
American Physical Society (APS)Journal
Physical Review BarXiv
1311.1155ae974a485f413a2113503eed53cd6c53
10.1103/PhysRevB.88.235418