吸附位置对分子近藤效应的影响

文章报道了利用低温扫描隧道显微镜观察到磁性分子酞菁铁(iron phthalocyanine,FePc)在金属表面Au(111)上的近藤效应(Kondo effect).从实验上观察到两种由近藤效应引起的不同的Fano共振现象.通过理论模拟和分析,文章作者发现这两种Fano共振分别对应于不同的分子吸附位置.吸附位置不仅影响Fano共振的线型,而且还影响自旋电子的耦合强度,是调控金属表面磁性杂质自旋态的重要途径.     

Transport properties of boron nanotubes investigated by ab initio calculation

We investigate atomic and electronic structures of boron nanotubes (BNTs) by using the density functional theory (DFT). The transport properties of BNTs with different diameters and chiralities are studied by the Keldysh nonequilibrium Green function (NEGF) method. It is found that the cohesive energies and conductances of BNTs decrease as their diameters decrease. It is more diffcult to form (N,0) tubes than (M,M) tubes when the diameters of the two kinds of tubes are comparable. However, the (N,0) tubes have a higher conductance than the (M,M) tubes. When the BNTs are connected to gold electrodes, the coupling between the BNTs and the electrodes will affect the transport properties of tubes significantly.