شماره ركورد كنفرانس :
3834
عنوان مقاله :
EFFECT OF AXIAL STRAIN ON ELECTRONIC AND STRUCTURAL PROPERTIES OF ZIG-ZAG (6,0) SILICON CARBIDE NANOTUBE
پديدآورندگان :
Roohi Hossein Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran , Shirbina Sepideh shirbina.sep@gmail.com Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran;
كليدواژه :
Silicon Carbide Nanotubes , axial strain , physical and electronic properties ,
عنوان كنفرانس :
نوزدهمين سمينار شيمي فيزيك ايران
چكيده فارسي :
The influences of axial strain on structural The influences of axial strain on structural and electronic properties of zig-zag type of silicon carbide nanotube (SiCNT) were studied by density functional theory calculations. The variations of HOMO–LUMO gaps, geometrical parameters and isodensity surfaces of the HOMOs and LUMOs were investigated for SiCNT at different strains. Our results show that the axial strain affects on the electronic and structural properties of zig-zag SiCNTs.
