扶手椅型石墨烯纳米带输运性质的应变调控——以微小应变作用为例

摘要

Electronic transmission coefficients and density of states for uniaxially small strained armchair- edge graphene nanoribbons (AGNRs) are demonstrated by the first-principle calculations based on non equilibrium Green's function method and density-functional-theorem. It is observed that the system den sity of states and transmission coefficients of semiconducting AGNRs are sensitive to the external uniaxi ally small strain,while the energy gaps of metallic AGNRs may be opened under a small strain.%采用非平衡格林函数方法和密度泛函理论的第一性原理，计算外加非轴向微小应变作用下扶手椅型石墨烯纳米带的电子能态密度和透射谱．结果表明，半导体型扶手椅石墨烯纳米带的电子透射系数和能态密度对外加非轴向应变十分敏感，金属型扶手椅石墨烯纳米带的带隙在微小应变下即可打开．