1ST-PRINCIPLES THEORY OF SCANNING TUNNELING MICROSCOPY

Scanning tunneling microscopy/spectroscopy (STM/STS), which has been so epoch-making in surface science experiments introduced many challenging problems also to the theory of condensed matter physics. Recent progress in theories of STM/STS contributed to revealing the relation between the atomic structure of the tip and the STM/STS data, and to clarify various strange phenomena observed. The present article reviews various important issues of the fundamentals of STM/STS from theoretical view points. After surveying the so far presented theoretical approaches, the first-principles simulation method based on the microscopic electronic state of both the sample surface and the tip is introduced. Several examples of the simulation such as graphite and Si surfaces, are described. Some novel phenomena of the microscopic tunnel system of STM such as the negative differential resistance in STS and single electron tunneling through fine supported particles are also discussed, as well as the many-body effect or electron-phonon coupling effect on STM/STS.