A lattice kinetic Monte Carlo model for nano-crystal growth is presented and discussed in detail. As an example, we performed case studies of thin film growth. The result shows that an alteration of three-dimensional (3D) Ehrlich-Schwoebel (ES)barrier leads to shape transition of islands with multiple atomic layers in thin film growth.

We investigate double Bloch bands driven by a square-wave electric field with a tight-binding model. Using Fourier analysis, we analytically obtain resonance conditions of Rabi oscillation and Rabi frequency in the weak-coupling limit. The results are verified by numerical evolution of electrons.

Within a two-band tight-binding model driven by a dc-ac electric field,we investigate the effect of external noise on the transport property of electrons in superlattices.We find that external noise can destroy the periodicity of the transient current and cancel the long-time average current peaks.The magnitude of the noise is usually in the order of ten percent of E₀ (static electric field),which affects the transient and averaged currents strongly.Increasing the noise strength,the height of the current peaks decreases,and the width increases.A similar change appears while we increase the decay constant of the noise.

Based on the first-principle caluclation,the lattice vibrational effects on the phase stability of Ti-Al system are studied by using the cluster variation method.In this study,two models,i.e.the continuous Medium model and the lattice dynamics model (atomic pair potential is obtained by M?bius inversion),are considered.For the former,the effect from the lattice vibration on the phase stability is negligible,while for the latter model,it is obvious.This result indicates that the optical mode of the lattice vibration is important when the lattice vibrational effects on the alloy's phase stability are considered taken into account.