Related papers: Self-assembled Pt nanowires on Ge(001): Relaxation…
Photonic band structure of metal-dielectric and semiconductor-dielectric layered structures are studied in the presence of a strong absorption. It is shown that absorption can enlarge some gaps by as much as 50%.
We investigate the valence band structure of Pb on Ge(001) by Angle-Resolved Photoelectron Spectroscopy. Three Ge bands, G1, G2, and G3, were observed on Ge(001) 2x1 clean surface. In addition to these three bands, a forth band (R band) is…
From electronic structure calculations, we find that carriers injected into dangling-bond atomic wires on the Si(001) surface will self-trap to form localised polaron states. The self-trapping distortion takes the form of a local…
The geometrical and electronic structure properties of $<100>$ and $<110>$ silicon nanowires in the absence of surface passivation are studied by means of density-functional calculations. As we have shown in a recent publication [R. Rurali…
Results of recent density functional theory calculations for alkali metal adsorbates on close-packed metal surfaces are discussed. Single adatoms on the (111) surface of Al and Cu are studied with the self-consistent surface Green-function…
The Ge(001)-(2 1 0 3)-Pb surface reconstruction with a lead coverage of 5/3 monolayer is on the borderline between the low-coverage covalently-bonded and high-coverage metallic lead overlayers. This gives rise to an unusual low-temperature…
We report a first-principles Wannier function study of the electronic structure of PdTe. Its electronic structure is found to be a broad three-dimensional Fermi surface with highly reduced correlations effects. In addition, the higher…
Flexible electronics are attracting attention due to the increasing demand for lightweight, bendable devices that can conform to various surfaces, including human skin. Although indium tin oxide (ITO) is widely used for electrical…
Scanning tunnelling microscopy and low energy electron diffraction show a dimerization-like reconstruction in the one-dimensional atomic chains on Bi(114) at low temperatures. While one-dimensional systems are generally unstable against…
We study deposition dynamics of Na and Na$_2$ on an Ar substrate, both species neutral as well as charged. The system is modeled by a hierarchical approach describing the Na valence electrons by time-dependent density-functional theory…
The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles modeling based on density-functional theory (DFT). For both…
The significant discrepancy between first-principles calculations and experimental analyses for the relaxation of the (001) surface of rhodium has been a puzzle for some years. In this paper we present density functional theory calculations…
Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place…
The electronic origin of the structural transition in 1T-VSe$_2$ is re-evaluated through an extensive angle-resolved photoemission spectroscopy experiment. The components of the band structure, missing in previous reports, are revealed.…
Mechanical properties, atomic and energy band structures of bare and hydrogen passivated Si$_{n}$Ge$_{n}$ nanowire superlattices have been investigated by using first-principles pseudopotential plane wave method. Undoped, tetrahedral Si and…
Freestanding graphene membranes were successfully functionalized with platinum nanoparticles (Pt NPs). High-resolution transmission electron microscopy revealed a homogeneous distribution of single-crystal Pt NPs that tend to exhibit a…
Atomic nanowires on semiconductor surfaces induced by the adsorption of metallic atoms have attracted a lot of attention as possible hosts of the elusive, Tomonaga-Luttinger liquid. The Au/Ge(100) system in particular is the subject of…
We present a systematic study of the electronic and magnetic properties of transition-metal (TM) atomic chains adsorbed on the zigzag single-wall carbon nanotubes (SWNTs). We considered the adsorption on the external and internal wall of…
We compare the optical response of isolated nanowires, double-wire systems, and Pi-structures, and show that their radiation is well described in terms of their electric and magnetic dipole moments. We also show that both dielectric…
Whereas bulk bismuth supports very-high mobility, light, Dirac electrons and holes in its interior, its boundaries support a layer of heavy electrons in surface states formed by spin orbit interaction in the presence of the surface electric…