Journal
APPLIED PHYSICS LETTERS
Volume 100, Issue 6, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3682303
Keywords
ab initio calculations; aluminium; gold; graphene; intercalation compounds; monolayers; palladium; platinum; semiconductor doping; semiconductor materials; silver; spin-orbit interactions
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Funding
- National Center for Theoretical Sciences
- Taiwan National Science Council [NSC-98-2112-M110-002-MY3]
- Molecularly Engineered Energy Materials, an Energy Frontier Research Center
- US DOE, Office of Science, Basic Energy Sciences [DE-SC0001342]
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The atomic structures and electronic properties of metal-intercalated (metal = Al, Ag, Au, Pt, and Pd) graphene monolayers on SiC(0001) were investigated using first-principles calculations. The unique Dirac cone of graphene near the K point reappeared as the graphite layer was intercalated by these metals at a coverage of 3/8 ML. Furthermore, our results show that metal intercalation leads to n-type doping of graphene. The bands contributed from graphene exhibit small splitting after intercalation, whereas the bands contributed from the intercalated metal layer have significant Rashba spin-orbit splittings in all cases except Al. (C) 2012 American Institute of Physics. [doi:10.1063/1.3682303]
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