Pentcheva R, Fichthorn K A, Scheffler M, Bernhard T, Pfandzelter R, Winter H
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
Phys Rev Lett. 2003 Feb 21;90(7):076101. doi: 10.1103/PhysRevLett.90.076101. Epub 2003 Feb 18.
We present a combined theoretical and experimental study of island nucleation and growth in the deposition of Co on Cu(001)-a prototype for understanding heteroepitaxial growth involving intermixing. Experimentally, ion scattering is employed. Using density-functional theory, we obtain energy barriers for the various elementary processes and incorporate these into a kinetic Monte Carlo program to simulate the heteroepitaxial growth. Both the simulations and the experiments show a unique N-shape dependence of the island density on temperature that stems from the interplay and competition of the different processes involved.
我们展示了一项关于在Cu(001)上沉积Co时岛状核形成与生长的理论与实验相结合的研究，Cu(001)是理解涉及混合的异质外延生长的一个原型。实验上，采用了离子散射技术。利用密度泛函理论，我们获得了各种基本过程的能垒，并将其纳入动力学蒙特卡罗程序以模拟异质外延生长。模拟和实验均表明，岛密度对温度呈现独特的N形依赖关系，这源于所涉及的不同过程之间的相互作用和竞争。
