Kinetic Monte Carlo simulations compared with continuum models and experimental properties of pattern formation during ion beam sputtering.

Kinetic Monte Carlo simulations model the evolution of surfaces during low energy ion bombardment using atomic level mechanisms of defect formation, recombination and surface diffusion. Because the individual kinetic processes are completely determined, the resulting morphological evolution can be directly compared with continuum models based on the same mechanisms. We present results of simulations based on a curvature-dependent sputtering mechanism and diffusion of mobile surface defects. The results are compared with a continuum linear instability model based on the same physical processes. The model predictions are found to be in good agreement with the simulations for predicting the early-stage morphological evolution and the dependence on processing parameters such as the flux and temperature. This confirms that the continuum model provides a reasonable approximation of the surface evolution from multiple interacting surface defects using this model of sputtering. However, comparison with experiments indicates that there are many features of the surface evolution that do not agree with the continuum model or simulations, suggesting that additional mechanisms are required to explain the observed behavior.

Stress-enhanced pattern formation on surfaces during low energy ion bombardment.

Ion-induced surface patterns (sputter ripples) are observed to grow more rapidly than predicted by current models, suggesting that additional sources of roughening may be involved. Using a linear stability analysis, we consider the contribution of ion-induced stress in the near surface region to the formation rate of ripples. This leads to a simple model that combines the effects of stress-induced roughening with the curvature-dependent erosion model of Bradley and Harper. The enhanced growth rate observed on Cu surfaces appears to be consistent with the magnitude of stress measured from wafer curvature measurements.

Compositionally modulated ripples induced by sputtering of alloy surfaces.

Sputtering of an amorphous or crystalline material by an ion beam often results in the formation of periodic nanoscale ripple patterns on the surface. In this Letter, we show that, in the case of alloy surfaces, the differences in the sputter yields and surface diffusivities of the alloy components will also lead to spontaneous modulations in composition that can be in or out of phase with the ripple topography. The degree of this kinetic alloy decomposition can be altered by varying the flux of the ion beam. In the high-temperature and low-flux regime, the degree of decomposition scales linearly with the ion flux, but it scales inversely with the ion flux in the low-temperature, high-flux regime.

Influence of step-edge barriers on the morphological relaxation of nanoscale ripples on crystal surfaces.

We show that the decay of sinusoidal ripples on crystal surfaces, where mass transport is limited by the attachment and detachment of atoms at the step edges, is remarkably different from the decay behavior that has been reported until now. Unlike the decreasing or at most constant rate of amplitude decay of sinusoidal profiles observed in earlier work, we find that the decay rate increases with decreasing amplitude in this kinetic regime. The rate of shape invariant amplitude relaxation is shown to be inversely proportional to both the square of the wavelength and the current amplitude. We have also carried out numerical simulations of the relaxation of realistic sputter ripples.

Origin of compressive residual stress in polycrystalline thin films.

We present a model for compressive stress generation during thin film growth in which the driving force is an increase in the surface chemical potential caused by the deposition of atoms from the vapor. The increase in surface chemical potential induces atoms to flow into the grain boundary, creating a compressive stress in the film. We develop kinetic equations to describe the stress evolution and dependence on growth parameters. The model is used to explain measurements of relaxation when growth is terminated and the dependence of the steady-state stress on growth rate.

Novel SiGe island coarsening kinetics: ostwald ripening and elastic interactions

Real-time light scattering measurements of coherent island coarsening during SiGe/Si heteroepitaxy reveal unusual kinetics. In particular, the mean island volume increases superlinearly with time, while the areal density of islands decreases at a faster-than-linear rate. Neither observation is consistent with standard considerations of Ostwald ripening. Modification of the standard theory to incorporate the effect of elastic interactions in the growing island array reproduces the observed behavior.

Nonclassical smoothening of nanoscale surface corrugations.

We report the first experimental observation of nonclassical morphological equilibration of a corrugated crystalline surface. Periodic rippled structures with wavelengths of 290-550 nm were made on Si(001) by sputter rippling and then annealed at 650-750 degrees C. In contrast to the classical exponential decay with time, the ripple amplitude Alambda(t) followed an inverse linear decay, Alambda(t)=Alambda(0)/(1+klambdat), agreeing with a prediction of Ozdemir and Zangwill. We measure the activation energy for surface relaxation to be 1.6+/-0.2 eV, consistent with the fundamental energies of creation and migration on Si(001).