Abstract: In tunnel field-effect transistors, trap-assisted tunneling (TAT) is one of the probable causes for degraded subthreshold swing. The accurate quantum-mechanical (QM) assessment of TAT currents also requires a QM treatment of phonon-assisted tunneling (PAT) currents. Therefore, we present a multi-band PAT current formalism within the framework of the quantum transmitting boundary method. An envelope function approximation is used to construct the electron-phonon coupling terms corresponding to local Frohlich-based phonon-assisted inter-band tunneling in direct-bandgap III-V semiconductors. The PAT current density is studied in up to 100 nm long and 20 nm wide p-n diodes with the 2- and 15-band material description of our formalism. We observe an inefficient electron-phonon coupling across the tunneling junction. We further demonstrate the dependence of PAT currents on the device length, for our non-self-consistent formalism which neglects changes in the electron distribution function caused by the electron-phonon coupling. Finally, we discuss the differences in doping dependence between direct band-to-band tunneling and PAT current. Published under license by AIP Publishing.

Abstract: The mechanical and electronic properties of a graphene membrane placed on top of a triangular superlattice of nanopillars are investigated. We use molecular dynamics simulations to access the deformation fields and the tight-binding approaches to calculate the electronic properties. Ripples form in the graphene layer that span across the unit cell, connecting neighboring pillars, in agreement with recent experiments. We find that the resulting pseudo-magnetic field (PMF) varies strongly across the unit cell. We investigate the dependence of PMF on unit cell boundary conditions, height of the pillars, and the strength of the van der Waals interaction between graphene and the substrate. We find direct correspondence with typical experiments on pillars, showing intrinsic “slack” in the graphene membrane. PMF values are confirmed by the local density of states calculations performed at different positions of the unit cell showing pseudo-Landau levels with varying spacings. Our findings regarding the relaxed membrane configuration and the induced strains are transferable to other flexible 2D membranes.

Abstract: Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching -8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in -8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0-1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character. Published under license by AIP Publishing.

Abstract: We investigate the torque field and skyrmion motion at an interface between a ferromagnet hosting a skyrmion and a material with a strong spin-orbit interaction. We analyze both semiconductor materials and topological insulators using a Hamiltonian model that includes a linear term. The spin torque-inducing current is considered to flow in the single band limit; therefore, a quantum model of current is used. Skyrmion motion due to spin transfer torque proves to be more difficult in the presence of a spin-orbit interaction in the case where only interface in-plane currents are present. However, edge effects in narrow nanowires can be used to drive the skyrmion motion and to exert a limited control on its motion direction. We also show the differences and similarities between torque fields due to electric current in the many and single band limits. Published under an exclusive license by AIP Publishing.

Abstract: We present here a new interatomic potential parameter set to predict the thermal conductivity of zirconium trisulfide monolayers. The generated Tersoff-type force field is parameterized using data collected with first-principles calculations. We use non-equilibrium molecular dynamics simulations to predict the thermal conductivity. The generated parameters result in very good agreement in structural, mechanical, and dynamical parameters. The room temperature lattice thermal conductivity ( kappa) of the considered crystal is predicted to be kappa x x = 25.69Wm – 1K – 1 and kappa y y = 42.38Wm – 1K – 1, which both agree well with their corresponding first-principles values with a discrepancy of less than 5%. Moreover, the calculated kappa variation with temperature (200 and 400 K) are comparable within the framework of the accuracy of both first-principles and molecular dynamics simulations.

Abstract: Statement of problem. The wear of tooth structure opposing anatomically contoured zirconia crowns requires further investigation. Purpose. The purpose of this in vitro study was to measure the roughness and wear of polished, glazed, and polished then reglazed zirconia against human enamel antagonists and compare the measurements to those of veneering porcelain and natural enamel. Material and methods. Zirconia specimens were divided into polished, glazed, and polished then reglazed groups (n=8). A veneering porcelain (Ceramco3) and enamel were used as controls. The surface roughness of all pretest specimens was measured. Wear testing was performed in the newly designed Alabama wear testing device. The mesiobuccal cusps of extracted molars were standardized and used as antagonists. Three-dimensional (3D) scans of the specimens and antagonists were obtained at baseline and after 200 000 and 400 000 cycles with a profilometer. The baseline scans were superimposed on the posttesting scans to determine volumetric wear. Data were analyzed with a 1-way ANOVA and Tukey Honestly Significant Difference (HSD) post hoc tests (alpha=.05) Results. Surface roughness ranked in order of least rough to roughest was: polished zirconia, glazed zirconia, polished then reglazed zirconia, veneering porcelain, and enamel. For ceramic, there was no measureable loss on polished zirconia, moderate loss on the surface of enamel, and significant loss on glazed and polished then reglazed zirconia. The highest ceramic wear was exhibited by the veneering ceramic. For enamel antagonists, polished zirconia caused the least wear, and enamel caused moderate wear. Glazed and polished then reglazed zirconia showed significant opposing enamel wear, and veneering porcelain demonstrated the most. Conclusions. Within the limitations of the study, polished zirconia is wear-friendly to the opposing tooth. Glazed zirconia causes more material and antagonist wear than polished zirconia. The surface roughness of the zirconia aided in predicting the wear of the opposing dentition. (J Prosthet Dent 2013;109:22-29)

Abstract: We investigate the effects of the finite confining potential V0 on the absorption and emission scattering rates of electrons interacting with LO phonons for a cylindrical GaAs quantum wire. The emission rates are qualitatively similar to those of the 2D case. The absorption rates on the other hand exhibit two different regimes: 1) for a wire radius smaller than a certain value (80 Å in the case where V0 = 190 meV) the behavior is similar to the 2D and 3D analogues, but 2) for larger radius the absorption rates initially increase with increasing energy, reach a maximum value and then decrease monotonicaly. A complete study is made as a function of wire radius, and electron energy.

Abstract: The electronic structure of the conduction and valence bands of a quantum ring containing a layer inside the ring opening is modeled This structure (nanocup) consists of a GaAs nanodisk (the cup s bottom) and a GaAs nanoring (the cup s rim) which encircles the disk The whole system is embedded in an (Al Ga)As matrix and its shape resembles realistic ring structures grown by the droplet epitaxy technique The conduction-band states in the structure are modeled by the single-band effective-mass theory while the 4-band Luttinger-Kohn model is adopted to compute the valence-band states We analyze how the electronic structure of the nanocup evolves from the one of a quantum ring when the size of either the nanodisk or the nanoring is changed For that purpose (1) the width of the ring (2) the disk radius and (3) the disk height are separately varied For dimensions typical for experimentally realized structures we find that the electron wavefunctions are mainly localized inside the ring even when the thickness of the Inner layer is 90% of the ring thickness These calculations indicate that topological phenomena like the excitonic Aharonov-Bohm effect are negligibly affected by the presence of the layer inside the ring (C) 2010 Elsevier Ltd All rights reserved

Abstract: We report on magnetisation of individual superconducting particles with size down to 0.1 micron. The non-invasive access to properties of such small objects has become possible using submicron Hall probes which detect a local magnetic field and work effectively as micro-fluxmeters similar to, e.g., SQUIDs but with an effective detection loop of only about a square micron. We have found that the spatial confinement of superconductivity in a small volume gives rise to dramatic changes in thermodynamic properties of mesoscopic superconductors. (C) 1998 Academic Press Limited.

Abstract: The effects due to intersubband coupling and screening on the ionized impurity scattering are studied for a quasi-two-dimensional electron system in delta-doped semiconductors. We found that intersubband coupling plays an essential role in describing the screening properties and the effect of ionized impurity scattering on the mobility in a multisubband system. At the onset of the occupation of a higher subband, the screening due to the intersubband coupling leads to a reduction of the small angle scattering rate in the lower subband. We showed that such an effect is significant in a delta-doped quantum well and results in a pronounced increase of the quantum mobility at the onset of the occupation of a higher subband. (C) 1996 American Institute of Physics.