Related papers: Determining the molecular Huang-Rhys factor via ST…
We present an extension of the tunneling theory for scanning tunneling microcopy (STM) to include different types of vibrational-electronic couplings responsible for inelastic contributions to the tunnel current in the strong-coupling…
The scanning-tunneling-microscope-induced luminescence emerges recently as an incisive tool to measure the molecular properties down to the single-molecule level. The rapid experimental progress is far ahead of the theoretical effort to…
In scanning tunneling microscopy induced luminescence (STML), the photon counting is measured to reflect the single-molecule properties, e.g., the first molecular excited state. The energy of the first excited state is typically determined…
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…
We explore theoretically the electroluminescence of single molecules. We adopt a local-electrode framework that is appropriate for scanning tunneling microscopy (STM) experiments where electroluminescence originates from individual…
Using a large-N theory in combination with the Keldysh non-equilibrium Greens function formalism, we investigate the current, differential conductance, zero-frequency shot-noise and Fano factor as measured by scanning tunneling shot noise…
The molecular dark state participates in many important photon-induced processes, yet is typically beyond the optical-spectroscopic measurement due to the forbidden transition dictated by the selection rule. In this work, we propose to use…
The thesis explores calculating tunneling current densities between planar conducting electrodes in an STM. It considers factors like bias voltages and the separation between electrodes, using Fermi energy and work functions. Pauli blocking…
We propose cotunneling as the microscopic mechanism that makes possible inelastic electron spectroscopy of magnetic atoms in surfaces for a wide range of systems, including single magnetic adatoms, molecules and molecular stacks. We…
We propose inelastic electron tunneling spectroscopy scanning tunneling microscopy (IETS-STM) as a means of exciting and observing intrinsic localized modes (breathers) in a macromolecule. As a demonstration, inelastic tunneling features of…
A microscopic theory of the transport in a scanning tunnelling microscope (STM) set-up is introduced for \pi-conjugated molecules on insulating films, based on the density matrix formalism. A key role is played in the theory by the energy…
A first principles theory of inelastic tunneling between a model probe tip and an atom adsorbed on a surface is presented, extending the elastic tunneling theory of Tersoff and Hamann. The inelastic current is proportional to the change in…
A scanning tunneling microscope (STM) can probe the inelastic spin excitations of single magnetic atoms in a surface via spin-flip assisted tunneling. A particular and intriguing case is the Mn dimer case. We show here that the existing…
Scanning tunneling microscopy-induced luminescence (STML) provides access to optical properties of individual molecules through a cascade of relaxation processes between many-body states. Insufficient charge attachment energies quench the…
Recent advances in on-surface chemistry, combined with scanning probe microscopy, have enabled the synthesis of correlated molecules on surfaces and the characterization of their chemical and electronic properties with unprecedented spatial…
Spin-flip inelastic electron tunneling spectroscopy allows magnetic materials to be probed at the single-atom level via scanning tunneling microscopy. Previously, the local spectral weight of spin excitations of small systems has been…
We present a method capable of calculating elastic scanning tunneling microscopy (STM) currents from localized atomic orbital density functional theory (DFT). To overcome the poor accuracy of the localized orbital description of the wave…
The small cross section of Raman scattering poses a great challenge for its direct study at the single-molecule level. By exploiting the high Franck-Condon factor of a common-mode resonance, choosing a large vibrational frequency difference…
Scanning tunneling microscopy (STM) at 5 K was used to study individual Au atoms adsorbed on the surface of a WSe2 layer grown on epitaxial graphene. In line with theoretical predictions, scanning tunneling spectroscopy measurements reveal…
In single-molecule transistors, we observe inelastic cotunneling features that correspond energetically to vibrational excitations of the molecule, as determined by Raman and infrared spectroscopy. This is a form of inelastic electron…