Monte Carlo simulation of growth of binary bcc structured layers

Abstract

Pulsed laser deposition is a very promising experimental technique for growing layers of nanoscale thickness. In this paper, the growth of a perovskite structured film grown on a perovskite substrate is simulated using the Monte Carlo procedure and LaMnO 3 is taken as an example. In the model, we consider the motion of the La and Mn atoms, and assume the oxygen atoms follow the metal atoms. The quality of the film is controlled by three parameters: namely, the temperature of the substrate, the kinetic energy of the atoms, and the average coverage of each pulse. The simulated results show that the quality of the films is strongly dependent on the three parameters. We analyzed the composition of the films layer by layer and find an interesting phenomenon: if the deposition conditions are not optimal, the fraction of wrong atoms ͑fractional mismatch͒ presents odd-even staggering as the number of deposited atom layers increases.

Morphological evolution of pulsed laser deposited ZrO2 thin films

“…This approximation is similar to that made in Ref. 24, where a MC model for the growth of LaMnO 3 thin films by PLD was developed, and where it was assumed that O atoms always follow the distribution of metallic atoms on the film surface. The angular distribution function followed by the deposition particles when arriving at the growth surface, I͑⍀͒, is therefore related to the angular distribution function of the Zr atoms emitted from the target.…”

Kinetic Monte Carlo simulations of nanocolumn formation in two-component epitaxial growth

“…However, most of the previous theories and simulations of two-component epitaxial growth are based on thermodynamics, without considering the kinetic effects that may also play an important role in controlling the morphology of embedded nanostructures. 9 Zhang et al 10 and Pyziak et al, 11 using kinetic Monte Carlo simulations, studied the kinetic effects of atom diffusions on the morphology of compound films in pulsed laser deposition growth, with a focus on the composition stoichiometry and defect structures.…”

Kinetic Monte Carlo Simulations of Submonolayer Growth of NiTi Alloy Thin Films

“…[8][9][10] Compared to monatomic films growth, the growth mechanism of alloy thin films is much more complicated and difficult to understand because there are different kinds of atoms in the system. Researchers should consider not only the dynamic processes of atoms but also the interactions between atoms of different kinds in the dynamic processes.…”