The Proceedings of Conference of Kanto Branch
Online ISSN : 2424-2691
ISSN-L : 2424-2691
2014.20
Session ID : 20102
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20102 First-principles calculation for group-IV graphane-like nanomaterials
Kodai MIHARAKazuhito SHINTANI
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CONFERENCE PROCEEDINGS FREE ACCESS

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Abstract
Hydrogenated graphene-like materials such as graphane, silicane, and germanane attract much attention of researchers because they have non-zero band gaps in their electronic structures. In this paper, the effect of strain on the electronic properties of these materials is investigated using first-principles calculation. Uniaxial or biaxial strains are imposed on the super cell for each material. It is found that the band gap of graphane gradually increases with the increase of the strain, whereas the band gaps of silicane and germanane decrease with the increase of the strain. Under uniaxial strain, there is little effect of the direction of the imposed strain on such strain dependences.
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© 2014 The Japan Society of Mechanical Engineers
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