Related papers: Structure of self-assembled Mn atom chains on Si(0…
We perform ab initio plane wave supercell density functional calculations on three candidate models of the (3 x 2) reconstruction of the beta-SiC(001) surface. We find that the two-adlayer asymmetric-dimer model (TAADM) is unambiguously…
Possibility for the formation of stable Al atomic wire on the Si(211) surface is investigated using density functional theory based total energy calculations. The stable adsorption sites and the surface structures at various sub-monolayer…
Shape-controlled synthesis of multiply twinned nanostructures is heavily emphasized in nanoscience, in large part due to the desire to control the size, shape, and terminating facets of metal nanoparticles for applications in catalysis.…
We present an atomic-resolution observation and analysis of graphene constrictions and ribbons with sub-nanometer width. Graphene membranes are studied by imaging side spherical aberration-corrected transmission electron microscopy at 80…
A recent study [Phys. Rev. B 17 174111 (2022)] has hypothesized the assembly, along a specific type of one-dimensional defects of diamond, of chains of nitrogen-vacancy (NV) centers, potentially enabling the creation of qubit registers via…
Renewed focus on the P-Si system due to its potential application in quantum computing and self-directed growth of molecular wires, has led us to study structural changes induced by P upon placement on Si(001)-$p(2\times 1)$. Using…
The ground states of some nuclei are described by densities and mean fields that are spherical, while others are deformed. The existence of non-spherical shape in nuclei represents a spontaneous symmetry breaking.
Clusters supported by solid substrates are prime candidates for heterogeneous catalysis and can be prepared in various ways. While mass-selected soft-landing methods are often used for the generation of monodisperse particles, self-assembly…
We present a combined experimental and computational study of the (110) cross-sectional surface of Mn $\delta$-doped GaAs samples. We focus our study on three different selected Mn defect configurations not previously studied in details,…
We consider polymers in which M randomly selected pairs of monomers are restricted to be in contact. Analytical arguments and numerical simulations show that an ideal (Gaussian) chain of N monomers remains expanded as long as M<<N; its mean…
The self-assembled monolayers of alkane thiolates on Ag (111) surfaces and nanoparticles are studied using molecular dynamics. Reactive force fields allow simulations of very large systems such as nanoparticles of 10 nm. Stable (sqrt(7) X…
Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatures is quite challenging. In this paper, we show a density…
We report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt-In stacking along the c-direction in this layered material…
Elastic sheets with macroscopic dimensions are easy to deform by bending and stretching. Yet shaping nanometric sheets by mechanical manipulation is hard. Here we show that nanoparticle self-assembly could be used to this end. We…
A new Nilsson single-particle structure is proposed for neutron-rich nuclei near $^{132}$Sn. In general, a large reduction in spin-orbit interaction is required and the neutron $N = 82$ gap persists in the new set of parameters. The ground…
Creating a quantum-coherent architecture at the atomic scale has long been an ambition in quantum science and nanotechnology. This ultimate length scale requires the use of fundamental quantum properties of atoms, such as the spin of…
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…
We report on the structural and magnetic properties of single and double atomic layers of Mn on a clean and unreconstructed Nb(110) substrate. Low-temperature scanning tunneling spectroscopy measurements reveal a proximity-induced…
We show that adsorption of one lithium atom to a polyacenes, i.e. chains of linearly fused benzene rings, will cause this chain to be slightly deformed. If we adsorb a second identical atom on the opposite side of the same ring, this…
Nanocrystals (NCs) serve as versatile building blocks for the creation of functional materials, with NC self-assembly offering opportunities to enable novel material properties. Here, we demonstrate that PbS NCs functionalized with strongly…