The electronic and structural properties of few-layer graphenes

• Main Authors: Po-han Chen, 陳柏翰
• Other Authors: Min-Hsiung Tsai
• Format: Others
• Language: en_US
• Published: 2007
• Online Access: http://ndltd.ncl.edu.tw/handle/e9smy3

碩士 === 國立中山大學 === 物理學系研究所 === 95 === The first-principles calculation method has been used to obtain electronic and structural properties of few-layer-graphenes (FLG), the layer spacing for N = 2, 3, 4, 5, 6, 7 and 8 AB stacked FLG’s are calculated. It is found that the AB stacking is more favorable than the AA stacking and the layer spacing for the two-layer FLG is only 2.725Å, which is substantially reduced from that of the graphite. The average layer spacing for 3-, 4-, 5-, 6-, 7-, and 8-layer AB stacked FLG’s are 3.389Å, 3.331Å, 3.317Å, 3.192Å, 3.220Å, and 3.220Å, respectively, which show that the average layer spacing approaches the bulk value when the number of layers is increased. For all 2- to 8-layer AB stacked FLG’s energy bands overlap near EF and near K, which show that FLG’s are semi-metallic.