Electronic Structures of Layered C60 and C70 on Si(100) Surface

摘要: Two-dimensional band structure calculation is carried out for the c(4×3) C60 and perfect triangular C70 lattices by using a mixed-basis approach in which wave functions are expanded with not only plane waves but also 1s 2p atomic orbitals of carbon atoms. The effect Si(100) substrate taken into account simply assuming charge transfer from Si dimers positive back-ground. Wave excess on these microclusters analyzed, resulting partial distributions explain electron cloud images observed recently scanning tunneling microscopy (STM).