Related papers: Surface electron band structure and VLEED reflecti…
We introduce ultrafast low-energy electron diffraction (ULEED) in backscattering for the study of structural dynamics at surfaces. Using a tip-based source of ultrashort electron pulses, we investigate the optically-driven transition…
Atomic and electronic structures of a polar surface of MgO formed on Ag(111) was investigated by using reflection high energy electron diffraction (RHEED), Auger electron spectroscopy, electron energy loss spectroscopy (EELS), and…
We have theoretically studied the stability and reconstruction of (111) surfaces of Au, Pt, and Cu. We have calculated the surface energy, surface stress, interatomic force constants, and other relevant quantities by ab initio electronic…
Radio-frequency (RF) sputtering is a low-cost technique for the deposition of large-area single-phase AlInN on silicon layers with application in photovoltaic devices. Here, the effect of the Al mole fraction x from 0 to 0.56 on the…
The Te-covered Si(111) surface has received recent interest as a template for the epitaxy of van der Waals (vdW) materials, e.g. Bi$_2$Te$_3$. Here, we report the formation of a Te buffer layer on Si(111)$-$(7$\times$7) by low-energy…
The interfacial band configuration of the high-k dielectric Al$_2$O$_3$ deposited at 120{\deg}C by atomic layer deposition (ALD) on boron- and phosphorus-doped hydrogen-terminated (111) diamond was investigated. Performing X-ray…
The total energy distributions (TEDs) of the emission currents in field emission and surface photofield emission and the overlayer-induced modifications in the surface electronic structures from the technologically important W surfaces with…
The layer dependent structural, electronic and vibrational properties of SnS2 and SnSe2 are investigated using first-principles density functional theory (DFT). The in-plane lattice constants, interlayer distances and binding energies are…
We investigate the surface electronic structure and thermodynamic stability of the SrTiO3 (111) slabs using density functional theory. We observe that, for Ti-terminated slabs it is indeed possible to create a two-dimensional electron gas…
In this study, we combined the surface-enhanced Raman scattering (SERS) with density functional theory (DFT) calculations to investigate the SERS spectra of lanthanide (Ln)-citrate complexes (Ln = La, Ce, Pr, Nd, Sm, Eu, and Gd) under 488,…
The presence of electron energy loss (EELS) peak is proposed theoretically in molybdenum disulfide (MoS2) nanosheets. Using density functional theory simulations and calculations, one EELS peak is identified in the visible energy range, for…
In \v{C}erenkov and Smith-Purcell free-electron lasers (FELs), a resonant interaction between the electron beam and the co-propagating surface mode can produce copious amount of coherent terahertz (THz) radiation. We perform a…
We present a systematic study of the atomic and electronic structure of the Si(111)-(5x2)-Au reconstruction using first-principles electronic structure calculations based on the density functional theory. We analyze the structural models…
The 7x7 reconstruction of Si(111) surface is widely understood by the dimer-adatom-stacking-fault model (DAS), but the predicted metallicity of DAS contradicts experimental signs of insulation. It is still challenge to predict DAS-like…
The topographical scattering of gravity waves is investigated using a spectral energy balance equation that accounts for first order wave-bottom Bragg scattering. This model represents the bottom topography and surface waves with spectra,…
We describe procedures to obtain the electronic structure of disordered systems using either tight binding like models or quite directly from ab inito density functional band structure calculations. The band structure is calculated using…
We investigate some surfaces of a paradigmatic sp bonded metal--namely, Al(110), Al(100), and Al(111)--by means of the "electron localization function" (ELF), implemented in a first-principle pseudopotential framework. ELF is a ground-state…
Grazing-incidence X-ray diffraction data are combined with energy-minimization calculations to analyse the atomic structure of the Al-rich (3sqrt{3} x 3sqrt{3})R 30 deg reconstructed surface of sapphire alpha-Al_2O_3(0001). The experiments…
Aims: Main goal of this work is to study the potential of He II Ly-alpha wavelength-integrated scattering polarisation for probing the magnetism of the solar upper chromosphere. Methods: Radiative transfer calculations are performed in…
The electronic and optical properties of the cleavage InAs(110) surface are studied using a semi-empirical tight-binding method which employs an extended atomic-like basis set. We describe and discuss the electronic character of the surface…