Related papers: Fermi level influence on the adsorption at semicon…
We present a model for Desorption Induce by (Multiple) Electronic Transitions (DIET/DIMET) based on potential energy surfaces calculated with the Delta Self-Consistent Field extension of Density Functional Theory. We calculate potential…
The recent observation of quantum oscillations in underdoped high-Tc superconductors, combined with their negative Hall coefficient at low temperature, reveals that the Fermi surface of hole-doped cuprates includes a small electron pocket.…
The spin dependent reflection at the interface is the key element to understand the spin transport. By completely solving the scattering problem based on first principles method, we obtained the spin resolved reflectivity spectra. The…
The effect of a magnetic field on the charged vacuum is investigated. The field dependence of the energy levels causes jumps in the total vacuum charge that occur whenever an energy level crosses the Fermi level and this leads to re-entrant…
The creation of magnetism on non-magnetic semiconductor surfaces is of importance for the realization of spintronics devices. Especially, the coupling of electron spins within quantum nanostructures can be utilized for nanomagnetism…
The molecular mechanisms by which organic additives such as saccharin control microstructure in nickel electrodeposition remain inadequately understood, particularly the role of the intense interfacial electric field. This study employs…
The Fermi surface topology plays an important role in the macroscopic properties of metals. It can be particularly sensitive to electron correlation, which appears to be especially significant for the weak itinerant ferromagnet ZrZn$_{2}$.…
The phenomenological boundary conditions for the envelope wave function, which is applicable for contacts of semiconductors with the rather different crystal symmetry are proposed. It is shown that the boundary conditions are determined by…
Relaxed atomic geometries and chemisorption energies have been calculated for the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces. We employ density-functional theory, together with a pseudopotential for Si, and…
We investigate the evolution of the Raman spectrum of defected graphene as a function of doping. Polymer electrolyte gating allows us to move the Fermi level up to 0.7eV, as monitored by \textit{in-situ} Hall-effect measurements. For a…
We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more…
The electronic structure changes of SmS surfaces under potassium (K) doping are elucidated using synchrotron-based core-level photoelectron spectroscopy and angle-resolved photoelectron spectroscopy (ARPES). The Sm core-level and ARPES…
We present a method to obtain quantitative profiles of surface state charge density and monitor its dynamics under various stress conditions in high electron mobility transistor (HEMT) devices. The method employs an optical spectroscopy of…
The resistivity and the mobility of Carbon doped GaAs nanowires have been studied for different doping concentrations. Surface effects have been evaluated by comparing upassivated with passivated nanowires. We directly see the influence of…
I discuss the behaviour of Group 1 and 2 elements under pressure, describing crystallography based on diamond anvil pressure cell experiments and electronic structure calculations. In addition to these precise methods, we discuss more…
The phase landscape of UTe$_2$ features a remarkable diversity of superconducting phases under applied pressure and magnetic field. Recent quantum oscillation studies at ambient pressure have revealed the quasi-2D Fermi surface of this…
Recent experiments on the silicon terminated $3\times 2$ SiC(100) surface indicated an unexpected metallic character upon hydrogen adsorption. This effect was attributed to the bonding of hydrogen to a row of Si atoms and to the…
We study the electronic structure of the doped paramagnetic insulator by finite temperature Quantum Monte-Carlo simulations for the 2D Hubbard model. Throughout we use the moderately high temperature T=0.33t, where the spin correlation…
From a combination of high resolution angle-resolved photoemission spectroscopy and density functional calculations, we show that BaFe2As2 possesses essentially two-dimensional electronic states, with a strong change of orbital character of…