Related papers: Surface-State Localization at Adatoms
Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…
Both quantum and classical behavior of single atomic spins on surfaces is determined by the local anisotropy of adatoms and their coupling to the immediate electronic environment. Yet adatoms seldom reside on surfaces alone and it is…
Over the past decade, extensive research into single-atom catalysts (SACs) has revealed that the catalytic behavior of metal adatoms is highly dependent on how they interact with their support. A strong dependence on the local coordination…
We show that an individual adatom on a magnetic surface can exhibit a noncollinear spin density. Using density functional theory we study Co and Ir adatoms on a Mn monolayer on the W(110) surface which possesses a noncollinear canted spin…
We have performed self-consistent calculations of the dynamical response of the (111) surface of the noble metals Cu, Ag, and Au. Our results indicate that the partially occupied surface-state band in these materials yields the existence of…
We develop a multidimensional coupled channel method suitable for studying the interplay of bound state resonance and phonon assisted scattering of inert gas atoms from solid surfaces in one, two and three dimensions. This enables us to get…
Since metallic surface states on (111) noble metals are free-electron like, their propagators can be evaluated analytically. Since they are well-screened, one can use simple tight-binding formalism to study their effects. The needed phase…
To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as…
In this study, oxygen vacancies and adatoms have been considered on the surface of both hexagonal and triangular ZnO nanowires. Their effect on the electronic structure and optical spectra of the nanowires have been investigated using the…
Electronic structure and magnetic interactions of a Tb adatom on graphene are investigated from first principles using combination of density functional theory and multiconfigurational quantum chemistry techniques including spin-orbit…
We introduce and experimentally demonstrate a class of surface bound states with algebraic decay in a one-dimensional tight-binding lattice. Such states have an energy embedded in the spectrum of scattered states and are structurally stable…
We report a quantitative low-temperature Scanning Tunneling Spectroscopy (STS)study on the Ag(111) surface state over an unprecedented range of currents (50 pA to 6 $\mu$A)through which we can tune the electric field in the tunnel junction…
We study the role of the onset of Shockley states, $D_s$, belonging to (111) surfaces of Cu, Ag and Au in the Kondo effect when a magnetic impurity is deposited on them. When $D_s$ approaches to the Fermi level, $E_F$, thing that can be…
We study entanglement spectra of gapped states on the surfaces of symmetry-protected topological phases. These surface states carry anomalies that do not allow them to be terminated by a trivial state. Their entanglement spectra are…
Quasiparticle interference induced by cobalt adatoms on the surface of the topological insulator Bi$_{2}$Se$_{3}$ is studied by scanning tunneling microscopy, angle-resolved photoemission spectroscopy and X-ray magnetic circular dichroism.…
We examine the adsorption of a single Ni atom on a monolayer of MgO on a Ag substrate using DFT and DFT+U computational approaches. We find that the electronic and magnetic properties vary considerably across the three binding sites of the…
We present calculations on the damping of a low-frequency adsorbate mode on a metal surface, namely the frustrated translation of Na on Cu(100). For the first time, vibrational lifetimes of excited adlayers are extracted from…
We have performed ab initio density functional calculations of thin Ag films on the Pd(111) surface. We have calculated the structural properties and the electronic bands of the Ag/Pd systems. There is a band gap in the electronic density…
Surface alloying can alter surface electronic and magnetic properties, which are key parameters when developing new materials tailored for specific applications. A magnetic surface alloy was formed by depositing Sb on Ni(111) at elevated…
Magnetic adatoms on surfaces are exchange coupled to their environment, inducing fast relaxation of excited spin states and decoherence. These interactions can be suppressed by inserting decoupling layers between the magnetic adsorbate and…