Quantum Transport Characteristics of Lateral pn-Junction of Single Layer TiS3

Using density functional theory and nonequilibrium Greens functions-based methods we investigated the electronic and transport properties of monolayer TiS3 pn-junction. We constructed a lateral pn-junction in monolayer TiS3 by using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 pn-junction. In addition, spin dependent current-voltage characteristics of the constructed TiS3 pn-junction were analyzed. Important device characteristics were found such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 pn-junction. These prominent conduction properties of TiS3 pn-junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material

Electronic and Magnetic Properties of 1T-TiSe2 Nanoribbons

Motivated by the recent synthesis of single layer TiSe2 , we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair- edged nanoribbons of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 nanoribbons have some distinctive properties. The electronic band gap of the nanoribbons decreases exponentially with the width and vanishes for ribbons wider than 20 Angstroms. For ultranarrow zigzag-edged nanoribbons we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and armchair edged ribbons have nonmagnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase nanoribbons of similar crystal structures.Comment: 8 pages, 9 figures, accepted paper on IOP 2D Material

Development of GCP Ontology for sharing crop information

Poster presented at 3rd International Biocuration Conference. Berlin (Germany), 17 Apr 200

Strange Particles and Neutron Stars - Experiments at Gsi

Experiments on strangeness production in nucleus-nucleus collisions at SIS energies address fundamental aspects of modern nuclear physics: the determination of the nuclear equation-of-state at high baryon densities and the properties of hadrons in dense nuclear matter. Experimental data and theoretical results will be reviewed. Future experiments at the FAIR accelerator aim at the exploration of the QCD phase diagram at highest baryon densities.Comment: %Invited talk given at the International Invited talk given at the International Symposium on Heavy Ion Physics (ISHIP 2006) April 3-6 2006, FIAS, Frankfurt, Germany Frankfurt, German

Ag and Au Atoms Intercalated in Bilayer Heterostructures of Transition Metal Dichalcogenides and Graphene

The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures.Comment: accepted, APL Ma

Testing Lorentz Invariance by Comparing Light Propagation in Vacuum and Matter

We present a Michelson-Morley type experiment for testing the isotropy of the speed of light in vacuum and matter. The experiment compares the resonance frequency of a monolithic optical sapphire resonator with the resonance frequency of an orthogonal evacuated optical cavity made of fused silica while the whole setup is rotated on an air bearing turntable once every 45 s. Preliminary results yield an upper limit for the anisotropy of the speed of light in matter (sapphire) of \Delta c/c < 4x10^(-15), limited by the frequency stability of the sapphire resonator operated at room temperature. Work to increase the measurement sensitivity by more than one order of magnitude by cooling down the sapphire resonator to liquid helium temperatures (LHe) is currently under way.Comment: Presented at the Fifth Meeting on CPT and Lorentz Symmetry, Bloomington, Indiana, June 28-July 2, 201

Directed Growth of Hydrogen Lines on Graphene: High Throughput Simulations Powered by Evolutionary Algorithm

We set up an evolutionary algorithm combined with density functional tight-binding (DFTB) calculations to investigate hydrogen adsorption on flat graphene and graphene monolayers curved over substrate steps. During the evolution, candidates for the new generations are created by adsorption of an additional hydrogen atom to the stable configurations of the previous generation, where a mutation mechanism is also incorporated. Afterwards a two-stage selection procedure is employed. Selected candidates act as the parents of the next generation. In curved graphene, the evolution follows a similar path except for a new mechanism, which aligns hydrogen atoms on the line of minimum curvature. The mechanism is due to the increased chemical reactivity of graphene along the minimum radius of curvature line (MRCL) and to sp$^3$ bond angles being commensurate with the kinked geometry of hydrogenated graphene at the substrate edge. As a result, the reaction barrier is reduced considerably along the MRCL, and hydrogenation continues like a mechanical chain reaction. This growth mechanism enables lines of hydrogen atoms along the MRCL, which has the potential to overcome substrate or rippling effects and could make it possible to define edges or nanoribbons without actually cutting the material.Comment: 10 pages of main text, 37 pages of supplementary information, 1 supplementary vide