Theoretical aspects of scanning tunneling microscopy andspectroscopy

In spite of the huge potential of scanning tunneling microscopy (STM), a firm interpretation of experimental data is often difficult. Theoretical simulation of STM images andSTS spectra plays a very important role to derive detailed information from experiments. In the present article, a method of the first-principles simulation based on the local density functional approach is introduced, andapplied to some interesting surface systems. It is clarified how the atomistic structure of the tip influences the STM image. An example is presented in which a naive interpretation of the STM image fails. The exotic phenomenon of transparency of the adsorbed molecule is discussed.