The adsorption of Pb overlayers on Si surfaces may lead to self-assembled quasi one-dimensional metals, as shown by Tono et al. [1] and Tegenkamp et al. [2]. Motivated by this finding, we investigate systematically the Pb-Si(001) interface for coverages between 0.125 to 1.0 monolayers. Based on density-functional theory (DFT) we calculate the surface phase diagram and present results for the structural and electronic properties of the interface. Possible implications of the electronic structure for electron transport are discussed.
References:
[1] K. Tono, H. W. Yeom, I. Matsuda, and T. Ohta. Electronic structure of the Si(001) surface with Pb adsorbates. Phys. Rev. B, 61, 15866-15872, 2000
[2] C. Tegenkamp, Z. Kallassy, H. Pfnür, H.-L. Günter, V. Zielasek, and M. Henzler. Switching between one and two dimensions: Conductivity of Pb-induced chain structures on Si(557). Phys. Rev. Lett. , 95, 176804, 2005 |