日本機械学会関東支部総会講演会講演論文集
Online ISSN : 2424-2691
ISSN-L : 2424-2691
セッションID: 20102
会議情報
20102 グラフェインライクナノ材料の第一原理計算
三原 紘大新谷 一人
著者情報
会議録・要旨集 フリー

詳細
抄録
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.
著者関連情報
© 2014 一般社団法人 日本機械学会
前の記事 次の記事
feedback
Top