Low-energy atomic impacts on the Ag(110) surface are investigated by molecular dynamics simulations based on reliable many-body semiempirical potentials. Trajectory deflections (steering) caused by the atom-surface interaction are observed, together with impact-following, transient-mobility effects. Such processes are quantitatively analysed and their dependence on the initial kinetic energy and on the impinging direction is discussed. A clear influence of the surface anisotropy on both steering and transient mobility effects is revealed by our simulations for the simple isolated-atom case and in the submonolayer-growth regime. For the latter case, we illustrate how steering and transient mobility affect the film morphology at the nanoscale.
Electron Mobility in Monoclinic β-Ga2O3 - Effect of Plasmon-phonon Coupling, Anisotropy, and Confinement
采用基于密度泛函微扰理论的晶格动力学计算、晶格模与集体等离子体激元振荡的耦合计算和基于玻尔兹曼理论的输运计算相结合的方法，研究了单斜β-Ga 2 O 3中的电子输运.等离子体激元与不同的纵向光学（LO）模式的强纠缠使得LO-等离子体激元耦合的作用对于传输至关重要。研究了体材料和二维电子气形式下β-Ga_2 O_3中电子迁移率与电子密度的关系。在高电子密度下，预测体迁移率为182 cm 2/ V.s，而在2DEG形式中，当远程杂质存在于界面处时，相应的迁移率为约418 cm 2/V.s，并且随着远程杂质中心远离界面而进一步提高。电子迁移率的变化趋势表明，在掺杂隔离电子沟道中实现高电子迁移率是有希望的。通过瞬态蒙特卡罗模拟跟踪实验观察到的迁移率的小各向异性。研究发现，红外活性声子模的各向异性是导致低场电子迁移率各向异性的原因。
Synergistic Effect of Multi-Walled Carbon Nanotubes and Ladder-Type Conjugated Polymers on the Performance of N-Type Organic Electrochemical Transistors
