相关论文: Quasiperiodic gallium adlayer on i-Al-Pd-Mn

The structure of the Al_{70}Pd_{21}Mn_{9} surface has been investigated using high resolution scanning tunnelling microscopy (STM). From two large five-fold terraces on the surface in a short decorated Fibonacci sequence, atomically…

Si dangling bonds without H termination at the interface of quasi-free standing monolayer graphene (QFMLG) are known scattering centers that can severely affect carrier mobility. In this report, we study the atomic and electronic structure…

The adsorption of MgO molecules on a Fe(001) surface was studied using density functional theory (DFT) and projector augmented wave methods. The energetically most favored configurations for different adsorption sites considered were…

Silicon (Si) donors in GaAs have been the topic of extensive studies since Si is the most common and well understood n-type dopant in III-V semiconductor devices and substrates. The indirect bandgap of AlAs compared to the direct one of…

Electron tomography (ET) offers nanoscale 3D characterization of mesoporous materials but is often limited by their low scattering contrast. Here, we introduce a gallium (Ga) intrusion strategy for mesoporous silica that dramatically…

We present an experimental investigation of a new polymorphic 2D single layer of phosphorus on Ag(111). The atomically-resolved scanning tunneling microscopy (STM) images show a new 2D material composed of freely-floating phosphorus…

Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of…

Alkali metal atoms (Li, Na, K, Rb, Cs), dimers and (2$\times$2) monolayers on a graphite (0001) surface have been studied using density functional theory, pseudopotentials, and a periodic substrate. The adatoms bind at the hollow site…

In this paper, we report first principles calculations based on density functional theory to reveal the effects of selected adatoms (Li, Na, K, Be, Mg, Ca, B, C, N, O, Al, Si, P, Ga, Ge, As, Se and S) adsorption on GaX ( where X=S, Se)…

Accurate low-order structure factors (Fg) measured by quantitative convergent beam electron diffraction (QCBED) were used for validation of different density functional theory (DFT) approximations. 23 low-order Fg were measured by QCBED for…

Achieving high crystalline quality Ge$_{1-x}$Sn$_{x}$ semiconductors at Sn content exceeding 10\% is quintessential to implementing the long sought-after silicon-compatible mid-infrared photonics. Herein, by using sub-20 nm Ge nanowires as…

The adsorption of 1,4-benzenediamine (BDA) on the Au(111) surface and azobenzene on the Ag(111) surface is investigated using density functional theory (DFT) with a non-local density functional (vdW-DF) and a semi-local…

The DFT/vdW-WF method, recently developed to include the Van der Waals interactions in Density Functional Theory (DFT) using the Maximally Localized Wannier functions, is applied to the study of the adsorption of rare-gas atoms (Ne, Ar, Kr,…

Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi Heusler compounds have been calculated within the one-shot GW approximation in an all-electron framework without adjustable parameters. For Co2FeSi the many-body…

By quantitative low-energy electron diffraction (LEED) we investigate the extensively studied commensurate charge density wave (CDW) phase of trigonal tantalum disulphide (1T-TaS$_2$), which develops at low temperatures with a…

This work reports optical and electronic numerical modelling of a novel emerging structure which is the GaAs nanocrystal on Si tandem solar cell by epitaxial lateral overgrowth, a technique which allows defect free material growth. The…

We report an experimental investigation of fractional quantum Hall effect (FQHE) at the even-denominator Landau level filling factor $\nu$ = 1/2 in very high quality wide GaAs quantum wells, and at very high magnetic fields up to 45 T. The…

We have reproducibly grown near-single-domain superconducting aluminum (Al) films on GaAs(111)A wafers using molecular beam epitaxy. Synchrotron X-ray diffraction revealed twin-domain ratios of 0.00005 and 0.0003 for 19.4-nm- and…

Dodecagonal bilayer graphene quasicrystal has 12-fold rotational order but lacks translational symmetry which prevents the application of band theory. In this paper, we study the electronic and optical properties of graphene quasicrystal…

Cross-sectional scanning tunneling microscopy (X-STM) was employed to characterize the InAs submonolayer quantum dots (SMLQDs) grown on top of a Si-doped GaAs(001) substrate in the presence of (2X4) and c(4X4) surface reconstructions.…