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Physical review. B, Condensed matter

Atom oscillations in the scanning tunneling microscope

M. Grigorescu, P. Budau, N. Cârjan

Published Mar 15, 1997• 8 citations
Publisher

Abstract

The atom tunneling across the potential barrier separating the surface and the tip of the scanning tunneling microscope is investigated by semiclassical methods, and by integrating numerically the time-dependent Schr\"odinger equation. It is shown that the barrier crossing is explained by the resonance phenomenon of quantum coherence oscillations, rather than by exponential decay. The occurrence of these resonances at the variation of the bias voltage is studied for the first two isomeric states of a Xe atom in a surface-tip potential of double-well shape. The resonant bias voltages for these two states practically coincide, and at the first common resonance the effect of the environmental temperature is discussed. The results provide a useful frame for understanding the mechanism of atom transfer in scanning tunneling microscopy.

DOI
10.1103/physrevb.55.7244

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The atom tunneling across the potential barrier separating the surface and the tip of the scanning tunneling microscope is investigated by semiclassical methods, and by integrating numerically the time-dependent Schr"odinger equation. It is shown that the barrier crossing is explained by the resonance phenomenon of quantum coherence oscillations, rather than by exponential decay. The occurrence of these resonances at the variation of the bias voltage is studied for the first two isomeric states of a Xe atom in a surface-tip potential of double-well shape. The resonant bias voltages for these two states practically coincide, and at the first common resonance the effect of the environmental temperature is discussed. The results provide a useful frame for understanding the mechanism of atom transfer in scanning tunneling microscopy.
The evolution of the quantum wave packet describing an atom trapped in the surface-tip junction of the scanning tunneling microscope is investigated by using the time-dependent Schroedinger equation, and by a quasi-classical Hamiltonian approach. The estimates concern a Xe atom in a biased double-well junction potential. The exact treatment shows that quantum coherence oscillations of the metastable ground state may occur at particular resonant values of the bias voltage. The effect of decoherence by partial localization is studied within the quasi-classical frame.
Recently Eigler, Lutz, and Rudge [Nature 352, 600 (1991)] have reported a bistable switch that derives its function from the motion of a single Xe atom. It has been shown that this atom can be transferred, in a reversible way, from a scanning-tunneling-microscope tip to a sample by means of a voltage pulse. In this paper we show that the atom transfer process can be understood in terms of a single-atom-tunneling process, while a mechanism similar to the heating-assisted electromigration cannot account for the experimental observations. We find that there is a nonzero probability of atom transfer even at zero applied voltage, i.e., the transfer rate cannot follow a power-law dependence with the applied pulse at small voltages. We present a tunneling model, based on the charge transfer from the metal to the 6s resonance of the Xe atoms, which is consistent with the available experimental data.
The effects of a voltage pulse on the localization probability for a Xe atom prepared in a pure state localized on the STM surface at 0 temperature is investigated by numerically integrating the time-dependent Schroedinger equation. In these calculations the environmental interactions are neglected, and voltage pulses of 20 and 7 ns with symmetric triangular and trapezoidal shapes are considered. The atom dynamics at an environmental temperature of 4 K is studied in the frame of a stochastic, non-linear Liouville equation for the density operator. It is shown that the irreversible transfer from surface to tip may be explained by thermal decoherence rather than by the driving force acting during the application of the voltage pulse.
We study the effects of phonons on the tunneling of an atom between two surfaces. In contrast to an atom tunneling in the bulk, the phonons couple very strongly and qualitatively change the tunneling behavior. This is the first example of Ohmic coupling from phonons for a two-state system. We propose an experiment in which an atom tunnels from the tip of an scanning-tunneling microscope, and show how its behavior would be similar to the macroscopic quantum coherence behavior predicted for SQUIDs. The ability to tune and calculate many parameters would lead to detailed tests of the standard theories.
Abstract Quantum tunneling, wherein a quanject has a non-zero probability of tunneling into and then exiting a barrier of finite width and height, is the subject of Chapter 13. The description for the one-dimensional case is extended to the barrier being inverted, which forms an attractive potential well. The first application of this analysis is to the emission of alpha particles from the decay of radioactive nuclei, where the alpha-nucleus attraction is modeled by a potential well and the barrier is the repulsive Coulomb potential. Excellent results are obtained. Ditto for the similar analysis of proton burning in stars and yet a different analysis that explains tunneling through a Josephson junction, the connector between two superconductors. The final application is to the scanning tunneling microscope, a device that allows the microscopic surfaces of solids to be mapped via electrons from the surface molecules tunneling into the tip of the STM probe.