Double Au rows on Si(553) surface

Abstract

A new structural model of Au induced Si(553) surface is proposed. The model accounts for recently experimentally found value of the Au coverage, i.e. 0.48 monolayer, which suggests formation of two gold chains on each Si(553) terrace. The resulting structural model, like the models of other vicinal Si surfaces, features the honey-comb chain, but there is no buckling at step edge, which is observed on Si(335)-Au and Si(557)-Au surfaces. The present model is more stable than the models with single Au chain only, and agrees very well with existing experimental data. In particular, calculated band structure, featuring two metallic bands coming from hybridization of the gold in both chains with neighboring Si atoms, perfectly matches the photoemission data. Moreover, theoretical scanning tunneling microscopy topography remains in excellent agreement with the experiment.

7 pages, 6 figures

References in corpus (17)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Competing periodicities in fractionally filled one-dimensional bands
• Role of the spin-orbit splitting and the dynamical fluctuations in the Si(557)-Au surface
• Structure and energetics of Si(111)-(5x2)-Au
• Double non-equivalent chain structure on vicinal Si(557)-Au surface
• First-principles study of the atomic and electronic structure of the Si(111)-(5x2-Au surface reconstruction
• Structure of Si(114) determined by global optimization methods
• Structural models for the Si(553)-Au atomic chain reconstruction
• Scanning tunneling microscopy of monoatomic gold chains on vicinal Si(335) surface: experimental and theoretical study
• Systematic investigation of the structure of the Si(553)-Au surface from first principles
• Model reconstructions for the Si(337) orientation
• Evolutionary approach for finding the atomic structure of steps on stable crystal surfaces
• Pb chains on reconstructed Si(335) surface
• Ab initio study of the double row model of the Si(553)-Au reconstruction
• First principles study of Si(335)-Au surface
• On the structure of the Si(103) surface

Cited by in corpus (12)

• Intrinsic magnetism at silicon surfaces
• Evidence for Long-Range Spin Order Instead of a Peierls Transition in Si(553)-Au Chains
• Spin Chains and Electron Transfer at Stepped Silicon Surfaces
• Direct momentum-resolved observation of one-dimensional confinement of externally doped electrons within a single subnanometre-scale wire
• Thermally-induced crossover from 2D to 1D behavior in an array of atomic wires: silicon dangling-bond solitons in Si(553)-Au
• Silicon spin chains at finite temperature: dynamics of Si(553)-Au
• Z3 Charge Density Wave of Silicon Atomic Chains on a Vicinal Silicon Surface
• Two-dimensional crossover and strong coupling of plasmon excitations in arrays of one-dimensional atomic wires
• Electronic coupling between Bi nanolines and the Si(001) substrate: An experimental and theoretical study
• States decoupled from the surface in short Si atomic chains
• Temperature dependent ARPES of the metallic-like bands in Si(553)-Au
• Adsorbate induced manipulation of 1D atomic nanowires: Soliton mediated degradation of long-range order in the Si(553)-Au system