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The theory of inelastic electron tunneling spectroscopy (IETS) and motions of single adsorbed atoms and molecules on metal surfaces induced by vibrational excitation with a scanning tunneling microscope (STM) is reviewed. The theory of STM-IETS is described using the adsorbate-induced resonance model. Elementary processes of how an adsorbate overcomes the potential barrier along the reaction coordinate (RC) by inelastic tunneling current are described with a focus on direct excitation of the RC mode by coherent and incoherent vibrational ladder climbing and an indirect one through anharmonic coupling to a mode excited by tunneling electrons. Action spectroscopy of single molecule motions is also discussed. The latter allows a direct access to the vibrational density of states, which can not be otherwise observed in the STM-IETS because of a competition between the elastic and inelastic tunneling currents.
The role of the tip in inelastic electron tunneling spectroscopy (IETS) performed with scanning tunneling microscopes (STM) is theoretically addressed via first-principles simulations of vibrational spectra of single carbon monoxide (CO) molecules ad
Two basic physical models, a two-level system and a harmonic oscillator, are realized on the mesoscopic scale as coupled qubit and resonator. The realistic system includes moreover the electronics for controlling the distance between the qubit energy
We study pentanedithiol molecular junctions formed by means of the break-junction technique with a scanning tunneling microscope at low temperatures. Using inelastic electron tunneling spectroscopy and first-principles calculations, the response of t
The controlled and accurate emission of coherent electronic wave packets is of prime importance for future applications of nano-scale electronics. Here we present a theoretical and experimental analysis of the finite-frequency noise spectrum of a per
We consider tunneling transport through a Mn$_{12}$ molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wavefunctions from Kohn-Sham orbitals allows for the determination of spin-dependent matrix