Electronic properties of Mn-decorated silicene on hexagonal boron nitride
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Preprint Posting Date2013-11-05
Permanent link to this recordhttp://hdl.handle.net/10754/315799
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AbstractWe 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.
CitationKaloni 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.
PublisherAmerican Physical Society (APS)
JournalPhysical Review B