[16p-Z30-1~14] 17.1 Carbon nanotubes & other nanocarbon materials

▲ [16p-Z30-14] Geometric and electronic structures of diamond nanowires

〇YANLIN GAO¹, Susumu Okada¹ (1.Univ. of Tsukuba)

Keywords:Diamond nanowires, Density functional theory, Electronic property

In this work, we theoretically explore the geometric and electronic structures of diamond nanowires (DNWs) with diameters of 0.5 nanometer based on the density functional theory. Our calculations showed that DNWs with the hydrogenated surfaces kept their initial shapes. while DNWs with the clean surfaces exhibited significant surface reconstructions. The electronic property of the DNWs also depends on their surface termination and the cross section.