Journal
PHYSICAL REVIEW B
Volume 80, Issue 23, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.235418
Keywords
ab initio calculations; boron compounds; conduction bands; electronic density of states; Fermi level; fullerenes; III-V semiconductors; potassium; semiconductor doping; semiconductor nanotubes; wide band gap semiconductors
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We report the results of ab initio simulations of the electronic properties of a chain of C-60 molecules encapsulated in a boron-nitride nanotube-so-called BN nanopeapod. It is demonstrated that this structure can be effectively doped by depositing potassium atoms on the external wall of the BN nanotube. The resulting material becomes a true metallic one-dimensional crystal, where the conduction states are formed solely by the fullerene chain. At the doping rate of one K atom per C-60 molecule, the system shows the density of states at the Fermi level considerably higher than in any of the fullerene crystals presently made. This makes the doped BN-peapod structure an interesting candidate to study a possible superconducting state.
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