相关论文: Frustrated H-Induced Instability of Mo(110)
The large interest in the properties of transition metal surfaces has been recently fostered by inelastic helium atom scattering experiments carried out by Hulpke and Luedecke. Sharp and giant anomalies in the surface phonon dispersion…
Helium atom scattering (HAS) studies of the H-covered Mo(110) and W(110) surfaces reveal a twofold anomaly in the respective dispersion curves. In order to explain this unusual behavior we performed density-functional theory calculations of…
Helium atom scattering (HAS) studies of the H-covered Mo(110) and W(110) surfaces reveal a twofold anomaly in the respective dispersion curves. In order to explain this unusual behavior we performed density functional theory calculations of…
The possible occurrence of either a charge-density-wave or a Kohn anomaly is governed by the presence of Fermi-surface nesting and the subtle interaction of electrons and phonons. Recent experimental and theoretical investigations suggest…
Puzzling trends in surface stress were reported experimentally for Ni/W(110) as a function of Ni coverage. In order to explain this behavior, we have performed a density-functional-theory study of the surface stress and atomic structure of…
Atomic oxygen adsorption on the Mo(112) surface has been investigated by means of first-principles total energy calculations. Among the variety of possible adsorption sites it was found that the bridge sites between two Mo atoms of 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…
We investigate the competing Fermi surface instabilities in the Kagome tight-binding model. Specifically, we consider onsite and short-range Hubbard interactions in the vicinity of van Hove filling of the dispersive Kagome bands where the…
There has been a puzzle between experiments and theoretical predictions on the charge ordering of layered titanium-oxypnictides superconductors. Unconventional mechanisms to explain this discrepancy have been argued so far, even affecting…
We investigate the atomic hydrogen adsorption on Mg(0001) by using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage dependence of the adsorption structures and energetics is…
An H atom inserted into hydrogen monolayer on the Si(100)-2x1 surface has been studied using the density functional theory. Hydrogen-induced defects were considered in their neutral, negative, and positive charge states. It was found that…
We employ inelastic helium atom-surface scattering to measure the low energy phonon dispersion along high-symmetry directions on the surface of the topological insulator Bi$_2$Te$_3$. Results indicate that one particular low-frequency…
We study long-range morphological changes in atomic monolayers on solid substrates induced by different types of defects; e.g., by monoatomic steps in the surface, or by the tip of an atomic force microscope (AFM), placed at some distance…
We have observed Shubnikov-de Haas oscillations in FeSe. The Fermi surface deviates significantly from predictions of band-structure calculations and most likely consists of one electron and one hole thin cylinder. The carrier density is in…
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…
We used high resolution angle-resolved photoemission spectroscopy to reveal the Fermi surface and key transport parameters of the metallic state of the layered Colossal Magnetoresistive (CMR) oxide La1.2Sr1.8Mn2O7. With these parameters the…
Interactions with electronic excitations can soften and/or broaden phonons. They are greatly amplified at wavevectors Q+- that connect parallel (nested) sheets of the Fermi surface. In such a case, called a Kohn anomaly, the phonon…
The atomic structures of clean and hydrogen-adsorbed Pd(001) are investigated by low energy electron diffraction (LEED) I/V analysis. Clean Pd(001) shows little surface relaxation in sharp contrast to previous reports. Adsorbing 1 monolayer…
Superconducting qubits are hampered by flux noise produced by surface spins from a variety of microscopic sources. Recent experiments indicated that hydrogen (H) atoms may be one of those sources. Using density functional theory…
The origin of the monoclinic distortion and domain formation in the quasi two-dimensional layer compound NbTe$_2$ is investigated. Angle-resolved photoemission shows that the Fermi surface is pseudogapped over large portions of the…