Related papers: Double non-equivalent chain structure on vicinal S…
Most of the works devoted so far to the electronic band structure of multiwall nanotubes have been restricted to the case where the individual layers have the same helicity. By comparison, much less is known on the electronic properties of…
An ideal one-dimensional electronic system is formed along atomic chains on Au-decorated vicinal silicon surfaces but the nature of its low temperature phases has been puzzled for last two decades. Here, we unambiguously identify the low…
Using first principles density functional calculations, gold monatomic wires are found to exhibit a zigzag shape which remains under tension, becoming linear just before breaking. At room temperature they are found to spin, what explains…
We study transport across p-n junctions of gapped two-dimensional semi-Dirac materials: nodal semimetals whose energy bands disperse quadratically and linearly along distinct crystal axes. The resulting electronic properties --- relevant to…
We present here a comprehensive search for the structure of the Si(553)-Au reconstruction. More than two hundred different trial structures have been studied using first-principles density-functional calculations with the SIESTA code. An…
The self-assembly of submonolayer amounts of Au on the densely stepped Si(553) surface creates an array of closely spaced \atomic wires" separated by 1.5 nm. At low temperature, charge transfer between the terraces and the row of silicon…
High-resolution scanning tunneling microscopy (STM) measurements on BaFe2As2-one of the parent compounds of the iron-based superconductors-reveals a (1x1) As-terminated unit cell on the (001) surface. However, there are significant…
The local electronic structure on nanoscale chains is investigated theoretically. We propose a mechanism to explain the even-odd oscillation of length distribution of atom chains. We study the spatial peak structure as obtained by scanning…
Percolation phenomena are investigated and discussed in three kinds of nanostructures: first two are nanocrystalline silicon-based systems, Si nanodots embedded in amorphous SiO2 matrix and porous silicon formed by an oxidized nanowire…
Using spin density functional theory we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic…
We performed Scanning Tunneling Microscopy and Spectroscopy (STM/STS) measurements to investigate the Zintl phase Eu$_5$In$_2$Sb$_6$, a non-symmorphic antiferromagnet. The theoretical prediction of a non-trivial Fermi surface topology…
Moir\'e patterns are a central motif in van der Waals heterostructures arising from the superposition of two-dimensional (2D) incommensurate lattices. These patterns reveal a wealth of correlated effects, influencing electronic, magnetic,…
We report on the synthesis, STM imaging and theoretical studies of the structure, electronic structure and transport properties of linear chains of styrene and methyl-styrene molecules and their heterojunctions on hydrogen-terminated…
The Si(111)7x7 surface was observed by reflection electron microscopy (REM) and scanning tunneling microscopy (STM) simultaneously in an ultra-high vacuum electron microscope. The distance between the STM tip and the Si surface was detected…
At submonolayer coverage, Mn forms atomic wires on the Si(001) surface oriented perpendicular to the underlying Si dimer rows. While many other elements form symmetric dimer wires at room temperature, we show that Mn wires have an…
Miscut surfaces of layered crystals can exhibit a stair-like sequence of terraces having periodic variation in their atomic structure. For hexagonal close-packed and related crystal structures with an {\alpha}{\beta}{\alpha}{\beta} stacking…
Silicon self-assembly at step edges in the initial stage of homoepitaxial growth on a vicinal Si(111) surface is studied by scanning tunneling microscopy (STM). The resulting atomic structures change dramatically from a parallel array of…
Recent experimental studies have shown that well-annealed, unstrained Si(105) surfaces appear disordered and atomically rough when imaged using scanning tunnelling microscopy (STM). We construct new models for the Si(105) surface that are…
We study the properties of ThCr$_2$Si$_2$ structure BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ using density functional calculations of the electronic and magnetic as well experimental measurements on single crystal samples of BaMn$_2$As$_2$. These…
Structural transformations, electronic spectra and ballistic transport in pulled gold nanowires are investigated with ab initio simulations, and correlated with recent measurements. Strain-induced yield of an initial double-strand wire…