Atom deposition and sputtering at normal incidence simulated by the Frenkel-Kontorova chain

The impact of a molecule of N atoms with a speed of v0 on the free end of the Frenkel-Kontorova chain is numerically simulated. Depending on the values of N and v0, different scenarios of the molecule-chain interaction are observed. Molecules with low speed stick to the chain. At somewhat higher speeds, the molecules bounce off the chain. Further increase in v0 results in bouncing off a molecule larger than the incident one. At even higher speed, bouncing of the molecule off the chain takes place simultaneously with the formation of a supersonic crowdion (antikink) propagating along the chain. A very high collision velocity leads to the sputtering of atoms from the chain and the formation of single and multiple supersonic crowdions. Interestingly, the sputtering yield Y as the function of v0 demonstrates a nonmonotonous dependence. This is explained by the fact that supersonic crowdions can have a discrete set of propagation velocities. When v0 is such that supersonic crowdions are effectively excited, the latter transfer energy deep into the chain, and the sputtering is minimal. For some v0 ranges, the formation of supersonic crowdions is suppressed. In these cases, the energy transferred from the impact of the molecule to the chain is spent mainly on the sputtering of atoms. The results obtained qualitatively explain the physics of bombardment of a crystal surface by atomic clusters with applications in physical vapor deposition, ion implantation, ion-beam sputtering, and similar experimental techniques.

Automated summary

This study numerically simulates the interaction between an atomic cluster with a speed v0 and a Frenkel-Kontorova chain. The results show that different scenarios of the molecule-chain interaction can be observed depending on the values of N and v0. The study highlights the formation of supersonic crowdions and the sputtering of atoms from the chain at high collision velocities. Interestingly, the sputtering yield demonstrates a nonmonotonous dependence on v0.