Related papers: Fermi level influence on the adsorption at semicon…
We evaluate the electric dipole absorption in small metal particles in a longitudinal electric field taking into account the Fermi-Thomas screening. When either the level broadening or the frequency of the field are larger than the mean…
The optical absorption of a single spherical semiconductor quantum dot in an electrical field is studied taking into account the nonlocal coupling between the field of the light and the polarizability of the semiconductor. These nonlocal…
Energy level alignment at solid-solvent interfaces is an important step in determining the properties of electrochemical systems. The positions of conduction and valence band edges of a semiconductor are affected by its environment. In this…
We measure the electron conductivity of the surface states and the subsurface space charge layer originating from the Si(111)-4x1-In reconstruction as a function of temperature. The conductivity of the surface states drops sharply around…
Chemical adsorption of atomic hydrogen on a negatively charged single layer graphene sheet has been analyzed with ab-initio Density Functional Theory calculations. We have simulated both finite clusters and infinite periodic systems to…
BaFe$_2$As$_2$ with transition-metal doping exhibits a variety of rich phenomenon from coupling of structure, magnetism, and superconductivity. Using density functional theory, we systematically compare the Fermi surfaces (FS), formation…
The charge doped into a semiconductor in a field effect transistor (FET) is generally confined to the interface of the semiconductor. A planar step at the interface causes a potential drop due to the strong electric field of the FET, which…
In the presence of nonlocal phase shift effects, a quasiparticle can remain topologically stable even in a spin-charge separation state due to the confinement effect introduced by the phase shifts at finite doping. True deconfinement only…
The coexistence of $\pi$-flux state and d-wave RVB state is considered in this paper within the slave boson approach. A critical value of doping concentration $\delta_c$ is found, below which the coexisting $\pi$-flux and d-wave RVB state…
Employing the four-band tight-binding model we study theoretically the doping dependence of the spin response in the normal state of novel Fe-based pnictide superconductors. We show that the commensurate spin density wave (SDW) transition…
A comprehensive first principles study on the electronic topological transition in a number of 122 family of Fe based superconductors is presented. Doping as well as temperature driven Lifshitz transitions are found from first principles…
The diversities in crystal structures and ways of doping result in extremely diversified phase diagrams for iron-based superconductors. With angle-resolved photoemission spectroscopy (ARPES), we have systematically studied the effects of…
Ultrathin CrSBr flakes are exfoliated \emph{in situ} on Au(111) and Ag(111) and their electronic structure is studied by angle-resolved photoemission spectroscopy. The thin flakes' electronic properties are drastically different from those…
Oxygen adsorption on delta-Pu (100) and (111) surfaces have been studied at both non-spin-polarized and spin-polarized levels using the generalized gradient approximation of density functional theory (GGA-DFT)with Perdew and Wang…
Extensive Langevin dynamics simulations are used to characterize the adsorption transition of a flexible magnetic filament grafted onto an attractive planar surface. Our results identify different structural transitions at different ratios…
Surface energy is fundamental in controlling surface properties and surface-driven processes like heterogeneous catalysis, as adsorption energy is. It is thus crucial to establish an effective scheme to determine surface energy and its…
In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped…
In this paper a mean-field theory for the spin-liquid paramagnetic non-superconducting phase of the p- and n-type High-$T_c$ cuprates is developed. This theory applied to the effective $t-t'-t''-J^*$ model with the {\it ab initio}…
We report differences in adsorption and reaction energetics for ethylene on Si(001) with respect to different dangling bond configurations induced by hydrogen precoverage as obtained via density functional theory calculations. This can help…
We bring resolution to the longstanding problem relating Fermi surface reconstruction to the number of holes contained within the Fermi surface volume in underdoped high Tc superconductors. On considering uniaxial and biaxial charge-density…