Related papers: Dopant-enhanced solid phase epitaxy in buried amor…

We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local orbital density functional theory. By analyzing a slab model…

Doping of Si using the scanning probe hydrogen depassivation lithography technique has been shown to enable placing and positioning small numbers of P atoms with nanometer accuracy. Several groups have now used this capability to build…

FeSe has been one of the most intensively studied iron-based superconductors over the past two decades, exhibiting a wide range of phenomena such as unconventional superconductivity, nematic order, magnetism, orbital-selective correlations,…

It is shown that the commonly held view of a sharp Fe K edge must be modified if the decay pathways of the series of resonances converging to the K thresholds are adequately taken into account. These resonances display damped Lorentzian…

We discuss the mechanism responsible for the observed improvement in the structural properties of In doped GaSe, a layered material of great current interest. Formation energy calculations show that by tuning the Fermi energy, In can…

Shattered pellet injection (SPI) is selected for the disruption mitigation system in ITER, due to deeper penetration, expected assimilation efficiency and prompt material delivery. This article describes non-linear magnetohydrodynamic (MHD)…

The preferred location of boron and phosphorus in oxidized free-standing Si nanoparticles was investigated using a first-principles density functional approach. The calculated formation energies indicate that P should segregate to the…

We report results of ab initio constant-pressure molecular dynamics simulations of sulfur compression leading to structural transition and pressure-induced amorphization. Starting from the orthorhombic S-I phase composed of S$_8$ ring…

Three-dimensional doped Dirac insulators foster simply connected (in both topological and trivial regimes) and annular (deep inside the topological regime) Fermi surfaces (FSs) in the normal state, and allow on-site repulsions among…

Topological insulators (TIs) are novel materials that manifest spin-polarized Dirac states on their surfaces or at interfaces made with conventional matter. We have measured the electron kinetics of bulk doped TI Bi$_2$Se$_3$ with angle…

We analyze enhancements in the magnitude of the self-energy for electrons far away from the Fermi surface in doped Mott insulators using the dynamical cluster approximation to the Hubbard model. For large onsite repulsion, U, and hole…

Molecular dynamics simulations using a Gaussian Approximation Potential (GAP) reveal a stress triaxiality driven, two-step Si-I (diamond cubic) to Si-V (simple hexagonal) phase transition pathway in a spherical Si nanoparticle with a 10 nm…

First simulations of deuterium shattered pellet injection (SPI) into an ASDEX Upgrade H-Mode plasma with the JOREK MHD code are presented. Resistivity is increased by one order of magnitude in most simulations to reduce computational costs…

Nanoindentation-induced phase transformation in silicon has been studied. A series of nanoindentations were made with the sharp diamond Berkovich tip. During nanoindentations, maximum load ranged from 2000 $\mu$N to 5000 $\mu$N, with a 1000…

We report on growth of Te-doped self-catalyzed InAs nanowires by molecular beam epitaxy on silicon (111) substrates. Changes in the wire morphology, i.e. a decrease in length and an increase in diameter have been observed with rising doping…

We present a theory for the damping of layer-by-layer growth oscillations in molecular beam epitaxy. The surface becomes rough on distances larger than a layer coherence length which is substantially larger than the diffusion length. The…

We have used Monte Carlo NPT computer simulations to study a system of spherical fan shaped particles made of three hard discs fused along a common diameter. The calculated equation of state indicates a strong, entropy driven, first order…

Disordered topological insulator (TI) films have gained intense interest by benefiting from both the TIs exotic transport properties and the advantage of mass production by sputtering. Here, we report on the clear evidence of spin-charge…

Spectral functions are evaluated numerically within the t-t'-J model as relevant for electron-doped cuprates. The Fermi surface develops from a pocket-like into a large one with doping. The corresponding pseudogap in the nodal direction is…

N-polar AlN epilayers were grown on the N-face of single crystal bulk AlN substrates by plasma assisted molecular beam epitaxy (PA-MBE). A combination of in situ thermal deoxidation and Al-assisted thermal desorption at high temperature…