Related papers: Heating-Assisted Atom Transfer in the Scanning Tun…
The local atomic structure and lattice dynamics of two isostructural layered transition metal dichalcogenides (TMDs), 1T-TiSe$_2$ and 1T-VSe$_2$, were studied using temperature-dependent X-ray absorption spectroscopy at the Ti, V, and Se…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
When a noble gas atom approaches a solid surface, it is adsorbed via the Van der Waals force, which is called physisorption. In this thesis, several experimental results concerning physisorbed atoms at surfaces are presented. First, photon…
We have applied a double decoupled localized level Anderson-Newns Hamiltonian to the analysis of surface effects upon the ionized fraction $\mathcal{R}_{+}$ of sputtered atoms from a metal surface. Electronic excitations, induced in the…
We analyze electron transport through a quantum shuttle for the applied voltage below the instability threshold. We obtain current-voltage characteristics of this system and show that at low temperature they exhibit pronounced steps. The…
The theory of collisional depolarization of spectral lines by atomic hydrogen (Derouich et al. \cite{derouich1}) is extended to $d$ $(l$=2) atomic levels. Depolarization rates, polarization and population transfer rates are calculated and…
We study phonon-mediated transitions between translational levels of an atom in a surface-induced potential. We present a general master equation governing the dynamics of the translational states of the atom. In the framework of the Debye…
We discuss how the thermalization of an elementary quantum system is modified when the system is placed in an environment out of thermal equilibrium. To this aim we provide a detailed investigation of the dynamics of an atomic system placed…
Photo-stimulated desorption (PSD) of Xe atoms from the Au(001) surface in thermal and nonthermal regimes was investigated by the time-of-flight measurement at photon energies of 6.4 and 2.3 eV. Xe was desorbed in a thermal way at high laser…
Bound-bound transitions can occur when localized atomic orbitals are thermally depleted, allowing excitations that would otherwise be forbidden at zero temperature. We predict signatures of bound-bound transitions in x-ray Thomson…
The angle and temperature dependence of the photon scattering rate for Bose-stimulated atom recoil transitions between occupied states is compared to diffraction and incoherent Rayleigh scattering near the Bose-Einstein transition for an…
Starting from a Huxley-type model for an agitated vibrational mode, we propose an embedding of standard active particle models in terms of two-temperature processes. One temperature refers to an ambient thermal bath, and the other…
Using time-resolved infrared-vacuum-ultraviolet double-resonance spectroscopy, experimental room temperature measurements of state-to-state rate coefficients for rotational energy transfer within the X $^1\Sigma^+(v=2)$ vibrational state of…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
We derive a quantum master equation for an atom coupled to a heat bath represented by a charged particle many-body environment. In Born-Markov approximation, the influence of the plasma environment on the reduced system is described by the…
Joule-heating induced conductance-switching is studied in VO2, a Mott insulator. Complementary in-situ techniques including optical characterization, blackbody microscopy, scanning transmission x-ray microscopy (STXM) and numerical…
We employ spin-polarized (SP) STM to study the spin-dependent tunneling between a magnetite (111) sample and an antiferromagnetic tip through a vacuum barrier at room temperature. Atomic scale STM images show significant magnetic contrast…
We calculated reaction rate constants including atom tunneling of the reaction of dihydrogen with the hydroxy radical down to a temperature of 50 K. Instanton theory and canonical variational theory with microcanonical optimized…
Two-pulse correlation experiments performed using pulses of different intensities on Pd(111) with different CO coverages showed that the CO photodesorption probability depends on whether the strong or the weak pulse arrives first to the…
We suggest a simple model to describe the reversible field-induced transfer of a single Xe-atom in a scanning tunneling microscope, --- the Eigler-switch. The inelasticly tunneling electrons give rise to fluctuating forces on and damping of…