Related papers: Multi-step atomic reaction enhanced by an atomic f…
We have used the scanning charged tip of an Atomic Force Microscope (AFM) to produce images of the conductance variation of a quantised 1D ballistic channel. The channel was formed using electron beam defined 700 nm wide split gate surface…
The double-exchange (DE) interaction, that is, a ferromagnetic (FM) interaction due to a combination of electron motion and the Hund coupling, is a well known source of a wide class of FM orders. Here, we show that the DE interaction in…
We show within a local self-consistent mean-field treatment that a random distribution of magnetic adatoms can open a robust gap in the electronic spectrum of graphene. The electronic gap results from the interplay between the nature of the…
A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The…
Background: Multinucleon transfer reactions at energies around the Coulomb barrier offer a vital opportunity to study rich physics of nuclear structure and dynamics. Despite the continuous development in the field, we have still limited…
Using first-principles calculations, we demonstrate that the magnetic exchange interaction and the magnetocrystalline anisotropy of biatomic Fe chains grown in the trenches of the 5x1 reconstructed Ir(001) surface depend sensitively on the…
Adsorbate engineering offers a seemingly simple approach to tailor spin-orbit interactions in atomically thin materials and thus to unlock the much sought-after topological insulating phases in two dimensions. However, the observation of an…
We report total-energy calculations based on the density-functional theory that clarify microscopic mechanisms of initial stage of graphene formation on the SiC(0001) surface. We explore favorable reactions for desorption of either Si or C…
Steps with spacings of microns form on top of mesas fabricated on Si(111) that is annealed at temperatures where sublimation becomes important. Upon annealing, mesas first develop ridges along their edges, effectively creating craters which…
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…
Here the Origin of the pseudogap in HTSC is attributed to the modulated antiferromagnetic (AFM) phase, whose preliminary version has been sketched recently by the present author [1](arXiv:0901.3896v2 (cond.-mat.sup-con)). Starting from 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…
The structure and energetics of Ge substitutional defects on the alpha-Sn/Ge(111) surface are analyzed using Density Functional Theory (DFT) molecular dynamics (MD) simulations. An isolated Ge defect induces a very local distortion of the…
We used DFT to study the energetics of the decomposition of alane, AlH3, on the Si(001) surface, as the acceptor complement to PH3. Alane forms a dative bond with the raised atoms of silicon surface dimers, via the Si atom lone pair. We…
The interface between a ferromagnetic metal and an organic molecular semiconductor, commonly referred to as a spinterface, is an important component for advancing spintronic technologies. Hybridization of the ferromagnetic-metal surface d…
Many two-dimensional (2D) semiconductors represented by transition metal dichalcogenides have tunable optical bandgaps in the visible or near IR-range standing as a promising candidate for optoelectronic devices. Despite this potential,…
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…
In inverted atomic ensembles, photon-mediated interactions give rise to Dicke superradiance, a form of many-body decay that results in a rapid release of energy as a photon burst. While originally studied in pointlike ensembles, this…
We investigate the modification of photoluminescence (PL) from single semiconductor nanocrystal quantum dots (NCs) in proximity of metal and semiconducting Atomic Force Microscope (AFM) tips. The presence of the tip alters the radiative…
Anomalous inter-layer atomic transport of deposited impurity atoms on Al(111) has been found by constant temperature molecular dynamics simulations. The low-energy deposition of Pt on Al(111) leads to oscillatory adsorbate-substrate…