The European Physical Journal B · 2018 · 13 citations · 72 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsNanomaterialsSolid State PhysicsCarbon NanomaterialsCarbon NanotubesCondensed Matter TheoryDensity Functional TheoryNanotubesSuperconducting MaterialsCarbon Nanotube Electronic StructureCarbon-based NanostructuresElectron-phonon ScatteringGraphenePhonon DynamicsPhonon-mediated SuperconductivityPhonon-phonon InteractionsSuperconductivity In Low-dimensional Systems
We present an application of density functional theory for superconductors to superconductivity in hydrogenated carbon nanotubes and fullerane (hydrogenated fullerene). We show that these systems are chemically similar to graphane (hydrogenated graphene) and like graphane, upon hole doping, develop a strong electron phonon coupling. This could lead to superconducting states with critical temperatures approaching 100 K, however this possibility depends crucially on if and how metallization is achieved.
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Generalized Gradient Approximation Made Simple
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Efficient pseudopotentials for plane-wave calculations
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