TY - JOUR
T1 - Electronic properties of Mn-decorated silicene on hexagonal boron nitride
AU - Kaloni, Thaneshwor P.
AU - Gangopadhyay, S.
AU - Jones, Burton
AU - Schwingenschlögl, Udo
AU - Singh, Nirpendra
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2013/12/17
Y1 - 2013/12/17
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/315799
UR - http://link.aps.org/doi/10.1103/PhysRevB.88.235418
UR - http://www.scopus.com/inward/record.url?scp=84892426544&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.88.235418
DO - 10.1103/PhysRevB.88.235418
M3 - Article
SN - 1098-0121
VL - 88
JO - Physical Review B
JF - Physical Review B
IS - 23
ER -