2012 Fiscal Year Final Research Report
Electronic structure, lattice vibration and superconductivity incarbon related materials
| Project/Area Number |
22740252
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Mathematical physics/Fundamental condensed matter physics
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
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| Project Period (FY) |
2010 – 2012
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| Keywords | 計算物理学 |
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| Research Abstract |
We clarified the effect of lattice vibration on the electronic structures from first principles. In particular, for superconductivity we developed a new program based on the fundamental equation and found that the obtained critical temperature agrees well with the experiment in the fullerene compounds. We also showed that the temperature and isotope dependence of the band gap in diamond can be explained by taking into account the lattice vibration. In addition, we proposed a new one-dimensional alkali-doped fullerene compounds encapsulated in BN nanotubes, which may exhibit high-temperature superconductivity. Furthermore, we studied the optical properties of ultrathin carbon nanotubes and found that most of them are non-luminescent.
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