相关论文: Sub-monolayer structures of Ag overlayers on Ge(11…

CrN/MgO(111) multilayers modeled via \textit{ab initio} calculations give rise to nanoscale, scalable, spatially separated two-dimensional electron and hole gases (2DEG+2DHG), each confined to its own CrN interface. Due to the Cr $3d^3$…

We report photoemission experiments revealing the full valence electron spectral function of Ce adatoms on Ag(111), W(110) and Rh(111) surfaces. A transfer of Ce 4f spectral weight from the ionization peak towards the Fermi level is…

We report on the structural, electronic and magnetic properties of a monolayer of GdAg2, forming a moir\'e pattern on Ag(111). Combining scanning tunneling microscopy and ab-initio spin-polarized calculations, we show that the electronic…

A detailed structural model for the indium-induced Si(111)-(4x1) surface reconstruction has been determined by analyzing an extensive set of x-ray-diffraction data recorded with monochromatic ($\hbar\omega$ = 9.1 keV) synchrotron radiation.…

The structural stability and electronic states of GaSe monolayer with trigonal-antiprismatic (AP) structure, which is a recently discovered new polymorph, were studied by first-principles calculations. The AP phase GaSe monolayer was found…

We propose that the indirect adatom-adatom interaction mediated by the conduction electrons of a metallic surface is responsible for the $\sqrt{3}\times \sqrt{3}\Leftrightarrow 3\times 3$ structural phase transitions observed in Sn/Ge (111)…

GaAs nanowires and GaAs-Fe3Si core-shell nanowire structures were grown by molecular-beam epitaxy on oxidized Si(111) substrates and characterized by transmission electron microscopy (TEM) and X-ray diffraction (XRD). Ga droplets were…

In this paper, using the same geometrical approach than for the (2R3x2R3) R30{\deg} structure (H. Jamgotchian et al., 2015, Journal of Physics. Condensed Matter 27 395002), for the (R13xR13)R13.9{\deg} type II structure, we propose an…

The self-assembled monolayers of alkane thiolates on Ag (111) surfaces and nanoparticles are studied using molecular dynamics. Reactive force fields allow simulations of very large systems such as nanoparticles of 10 nm. Stable (sqrt(7) X…

The electronic structure of the recently synthesised (3x3) reconstructed silicene on (4x4) Ag(111) is investigated by first-principles calculations. New states emerge due to the strong hybridization between silicene and Ag. Analyzing the…

Equilibrium atomic configurations and electron energy structure of ethanol adsorbed on the Si (111) surface are studied by the first-principles density functional theory. Geometry optimization is performed by the total energy minimization…

We report an investigation on the properties of 0.33 ML of Sn on Ge(111) at temperatures down to 5 K. Low-energy electron diffraction and scanning tunneling microscopy show that the (3x3) phase formed at 200 K, reverts to a new…

Phase structure of monolayer graphene is studied on the basis of a U(1) gauge theory defined on the honeycomb lattice. Motivated by the strong coupling expansion of U(1) lattice gauge theory, we consider on-site and nearest-neighbor…

Electronic structure of the 3x3 ordered-phase of a silicon (Si) layer on Al(111) has been studied by angle resolved photoemission spectroscopy (ARPES) technique using synchrotron radiation and modeled by a trial atomic model. A closed Fermi…

The adsorption characteristics of alkali, alkaline earth and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon, are analyzed by means of first-principles calculations. In contrast to graphene, interaction…

The results are presented of a detailed combined experimental and theoretical investigation of the influence of coadsorbed electron-donating alkali atoms and the prototypical electron acceptor molecule TCNQ…

Using Kohn-Sham wave functions and their energy levels obtained by density-functional-theory total-energy calculations, the electronic structure of the two c(2x2) phases of Na on Al(001) are analysed; namely, the metastable hollow-site…

We recently proposed a new structural model for the Si(331)-(12x1) surface reconstruction containing silicon pentamers as elementary structural building blocks. Using first-principles density-functional theory we here investigate the…

Using helium-3 atom scattering, we have studied the adsorption kinetics, the structure and the diffusional dynamics of atomic hydrogen on the surface of a graphene monolayer on Ni(111). Diffraction measurements reveal a 4$^\circ$ rotated…

Structural defects in the p-ZnTe/i-CdTe/n-CdTe single-crystalline heterojunctions designed for photovoltaic applications have been investigated by transmission electron microscopy (TEM) and deep-level transient spectroscopy (DLTS). Lattice…