相关论文: Surface-State Localization at Adatoms

We revisit the theory of the Kondo effect observed by a scanning-tunneling microscope (STM) for transition-metal atoms (TMAs) on noble-metal surfaces, including $d$ and $s$ orbitals of the TMA, surface and bulk conduction states of the…

We have carried out a density functional study of unoccupied, resonance states in a single Au atom, dimers, a trimer and infinite Au chains on the NiAl(110) surface. Two inequivalent orientations of the ad-chains with substantially…

We performed angle resolved photoemission (ARPES) studies on Cu(111) and Au(111) surface states with circularly polarized light. Existence of local orbital angular momentum (OAM) is confirmed as has been predicted to be broadly present in a…

The point contact of a tunnel tip approaching towards Ag(111) and Cu(111) surfaces is investigated with a low temperature scanning tunneling microscope. A sharp jump-to-contact, random in nature, is observed in the conductance. After point…

The electronic state in a CoO_2 plane of the layered cobalt oxides Na_{x}CoO_2 is investigated by using the 11 band d-p model on a two-dimensional triangular lattice, where the tight-binding parameters are determined so as to fit the LDA…

Using two different full-potential ab-initio techniques we introduce a simple, universal rule based on the number of broken first-neighbor bonds to determine the surface energies of the three noble metals Cu, Ag and Au. When a bond is…

Tricobalt tetraoxide (Co3O4) is an important catalyst and Co3O4(110) is a frequently exposed surface in Co3O4 nanomaterials. We employed Density-functional theory with on-site Coulomb repulsion U term to study the atomic structures,…

In order to study electron-transfer mediated chemical processes on a metal surface, one requires not one but two potential energy surfaces (one ground state and one excited state) as in Marcus theory. In this letter, we report that a novel,…

We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V_{im} not present in any local-density approximation for exchange and…

The advent of milli-kelvin scanning tunneling microscopes (STM) with inbuilt magnetic fields has opened access to the study of magnetic phenomena with atomic resolution at surfaces. In the case of single atoms adsorbed on a surface, the…

The electronic structure of molecules on metal surfaces is largely determined by hybridization and screening by the substrate electrons. As a result, the energy levels are significantly broadened and molecular properties, such as vibrations…

The surface diffusion of Cu adatoms in the presence of an adisland at FCC or HCP sites on Cu(111) is studied using the EAM potential derived by Mishin {\it et al.} [Phys. Rev. B {\bf 63} 224106 (2001)]. The diffusion rates along straight…

In the limit of low adatom concentration, we obtain exact analytic expressions for the local and total density of states (LDOS, TDOS) for a tight-binding model of adatoms on graphene. The model is not limited to nearest-neighbor hopping but…

We present a study of graphene/substrate interactions on UHV-grown graphene islands with minimal surface contamination using \emph{in situ} low-temperature scanning tunneling microscopy (STM). We compare the physical and electronic…

The combined effect of single-particle and collective surface excitations in the decay of image-potential states on Ag surfaces is investigated, and the origin of the long-standing discrepancy between experimental measurements and previous…

Substrate strain mediated adatom configurations on Cu<111> surfaces have been simulated in a coverage range up to nearly 1 monolayer. Interacting adatoms occupy positions on a triangular lattice in two dimensions. The elastic interaction is…

In this paper we establish a connection between the bulk topological structure and the magnetic properties of drumhead surface states of nodal loop semimetals. We identify the magnetic characteristics of the surface states and compute the…

We present a first-principles study of the surface magnetism induced by Cr, Mn, Fe and Co adatoms on the (111) surfaces of Rh, Pd, Ag, Ir, Pt and Au. We first describe how the different contributions to the surface magnetism enter the…

Electronic surface states in one-dimensional two-band TBA model are studied by use of the Green function method. The local density of states (LDOS) at successive atoms in a semi-infinite chain, even in the case of atoms distant from the…

Interdigitated transducers were used to generate and detect surface acoustic waves on a thin layer of (Ga,Mn)(As,P). The out-of-plane uniaxial magnetic anisotropy of this dilute magnetic semiconductor is very sensitive to the strain of the…