Quantum Markovian activated surface diffusion of interacting adsorbates.
Quantum Markovian activated surface diffusion of interacting adsorbates.
复制标题
量子马尔可夫激活相互作用吸附物的表面扩散。
作者：
R. Martínez;Á. S. Sanz;S. Miret
提出了一个具有相互作用吸附物的量子马尔可夫激活原子-表面扩散模型，该模型的中间散射函数是复值的，可以分解为类经典因子和量子力学因子。分析了Na原子在不同覆盖率和表面温度下在平坦（弱波纹）和波纹Cu（001）表面上扩散的应用。量子效应是相关的扩散，在低表面温度和覆盖率，即使是相对较重的粒子，如钠原子，其中运输隧道是不存在的。
A quantum Markovian activated atom-surface diffusion model with interacting adsorbates is proposed for the intermediate scattering function, which is shown to be complex-valued and factorizable into a classical-like and a quantum-mechanical factor. Applications to the diffusion of Na atoms on flat (weakly corrugated) and corrugated-Cu(001) surfaces at different coverages and surface temperatures are analyzed. Quantum effects are relevant to diffusion at low surface temperatures and coverages even for relatively heavy particles, such as Na atoms, where transport by tunneling is absent.