Quantum Mechanical Study on Tunnelling and Ballistic Transport of Nanometer Si MOSFETs

Using self-consistent calculations of million-atom Schrodinger-Poisson equations, we investigate the I-V characteristics of tunnelling and ballistic transport of nanometer metal oxide semiconductor field effect transistors (MOSFET) based on a full 3-D quantum mechanical simulation under nonequilibtium condition. Atomistic empirical pseudopotentials are used to describe the device Hamiltonian and the underlying bulk band structure. We find that the ballistic transport dominates the I-V characteristics, whereas the effects of tunnelling cannot be neglected with the maximal value up to 0.8mA/mu m when the channel length of MOSFET scales down to 25 nm. The effects of tunnelling transport lower the threshold voltage V-t. The ballistic current based on fully 3-D quantum mechanical simulation is relatively large and has small on-off ratio compared with results derived from the calculation methods of Luo et al.

DTADH and quantum critical phenomena caused by anisotropy and external magnetic field for spin-1/2 Heisenberg diamond chains

Using the transfer matrix renormalization group (TMRG) method, we study the connection between the first derivative of the thermal average of driving-term Hamiltonian (DTADH) and the trace of quantum critical behaviors at finite temperatures. Connecting with the exact diagonalization method, we give the phase diagrams and analyze the properties of each phase for both the ferromagnetic and anti-ferromagnetic frustrated J(3) anisotropy diamond chain models. The finite-temperature scaling behaviors near the critical regions are also investigated. Further, we show the critical behaviors driven by external magnetic field, analyze the formation of the 1/3 magnetic plateau and the influence of different interactions on those critical points for both the ferrimagnetic and anti-ferromagnetic distorted diamond chains.

Structural, mechanical, thermodynamic, and electronic properties of thorium hydrides from first-principles

We perform first-principles calculations of the structural, electronic, mechanical, and thermodynamic properties of thorium hydrides (ThH2 and Th4H15) based on the density functional theory with generalized gradient approximation. The equilibrium geometries, the total and partial densities of states, charge density, elastic constants, elastic moduli, Poisson's ratio, and phonon dispersion curves for these materials are systematically investigated and analyzed in comparison with experiments and previous calculations. These results show that our calculated equilibrium structural parameters are well consistent with experiments. The Th-H bonds in all thorium hydrides exhibit weak covalent character, but the ionic properties for ThH2 and Th4H15 are different due to their different hydrogen concentration. It is found that while in ThH2 about 1.5 electrons transfer from each Th atom to H, in Th4H15 the charge transfer from each Th atom is around 2.1 electrons. Our calculated phonon spectrum for the stable body-centered tetragonal phase of ThH2 accords well with experiments. In addition we show that ThH2 in the fluorite phase is mechanically and dynamically unstable.

Dynamics of photo-enhanced magneto-crystalline anisotropy in diluted ferromagnetic GaMnAs

By chopping a pump beam in conventional time-resolved Kerr rotation (TRKR) experiments and measuring the time evolution of M-shaped "major" hysteresis loops of magnetic linear dichroism (Delta MLD = MLDpump-on MLDpump-off), the differential MLD signal in the presence and the absence of the pump beam, we studied the dynamics of photo-enhanced magneto-crystalline anisotropy, and found that its very long recovering time (much longer than 13 ns) might reflect the nature of the coherent coupling between photo-excited holes and localized spins in the d shell of manganese.

A fully three-dimensional atomistic quantum mechanical study on random dopant-induced effects in 25-nm MOSFETs

A fully 3-D atomistic quantum mechanical simulation is presented to study the random dopant-induced effects in nanometer metal-oxide-semiconductor field-effect transistors. The empirical pseudopotential is used to represent the single particle Hamiltonian, and the linear combination of bulk band method is used to solve the million atom Schrodinger equation. The gate threshold fluctuation and lowering due to the discrete dopant configurations are studied. It is found that quantum mechanical effects increase the threshold fluctuation while decreasing the threshold lowering. The increase of threshold fluctuation is in agreement with the researchers' early study based on an approximated density gradient approach. However, the decrease in threshold lowering is in contrast with the density gradient calculations.

Mechanical and tribological properties of epitaxial cubic boron nitride thin films grown on diamond

电子邮箱nataliya.deyneka@uni-ulm.de

Quantum teleportation via a two-qubit Heisenberg XXZ chain - effects of anisotropy and magnetic field

We study quantum teleportation via a two-qubit Heisenberg XXZ, chain under an inhomogeneous magnetic field. We first consider entanglement teleportation, and then focus on the teleportation fidelity under different conditions. The effects of anisotropy and the magnetic field, both uniform and inhomogeneous, are discussed. We also find that, though entanglement teleportation does require an entangled quantum channel, a nonzero critical value of minimum entanglement is not always necessary.

Electronic structures and mechanical properties of uranium monocarbide from first-principles LDA plus U and GGA plus U calculations

The electronic structure, elastic constants, Poisson's ratio, and phonon dispersion curves of UC have been systematically investigated from the first-principles calculations by the projector-augmented-wave (PAW) method. In order to describe precisely the strong on-site Coulomb repulsion among the localized U 5f electrons, we adopt the local density approximation (LDA) + U and generalized gradient approximation (GGA) + U formalisms for the exchange correlation term. We systematically study how the electronic properties and elastic constants of UC are affected by the different choice of U as well as the exchange-correlation potential. We show that by choosing an appropriate Hubbard U parameter within the GGA + U approach, most of our calculated results are in good agreement with the experimental data. Therefore. the results obtained by the GGA + U with effective Hubbard parameter U chosen around 3 eV for UC are considered to be reasonable. (C) 2009 Elsevier B.V. All rights reserved.

Anisotropy of magnetic properties in ferrimagnetic ytterbium iron garnet under high magnetic fields

The magnetic anisotropy in ytterbium iron garnet (YbIG) is theoretically investigated under high magnetic fields (up to 160 kOe). According to the crystal field effect in ytterbium gallium garnet (YbGaG), a detailed discussion of crystal-field interaction in YbIG is presented where a suitable set of crystal-field parameters is obtained. Meanwhile, the influences of nine crystal-field parameters on the crystal-field energy splitting are analyzed. On the other hand, considering the ytterbium-iron (Yb-Fe) superexchange interaction of YbIG, the spontaneous magnetization is calculated at different temperatures for the [111] direction. In particular, we demonstrate that the Wesis constant lambda is the function of 1/T in YbIG. In addition, the field dependences of the magnetization for the [110] and [111] directions are theoretically described where a noticeable anisotropy can be found. Our theory further confirms the great contribution of anisotropic Yb-Fe superexchange interaction to the anisotropy of the magnetization in YbIG. Moreover, our theoretical results are compared with the available experiments.

Strain and magnetic anisotropy of as-grown and annealed Fe films on c(4x4) reconstructed GaAs (001) surface

Fe films with the different thicknesses were grown on c(4x4) reconstructed GaAs (001) surfaces at low temperature by molecular-beam epitaxy. Well-ordered bcc structural Fe epitaxial films are confirmed by x-ray diffraction patterns and high-resolution cross-sectional transmission electron microscopy images. A large lattice expansion perpendicular to the surface in Fe film is observed. In-plane uniaxial magnetic anisotropy is determined by the difference between magnetizing energy along [110] and [110] directions, and the constant of interfacial uniaxial magnetic anisotropy is calculated to be 1.02x10(-4) J m(-2). We also find that magnetic anisotropy is not obviously influenced after in situ annealing, but in-plane strain is completely changed.

Mechanical Deformation Behavior of Nonpolar GaN Thick Films by Berkovich Nanoindentation

In this study, the deformation mechanisms of nonpolar GaN thick films grown on m-sapphire by hydride vapor phase epitaxy (HVPE) are investigated using nanoindentation with a Berkovich indenter, cathodoluminescence (CL), and Raman microscopy. Results show that nonpolar GaN is more susceptible to plastic deformation and has lower hardness than c-plane GaN. After indentation, lateral cracks emerge on the nonpolar GaN surface and preferentially propagate parallel to the < 11 (2) over bar0 > orientation due to anisotropic defect-related stresses. Moreover, the quenching of CL luminescence can be observed to extend exclusively out from the center of the indentations along the < 11 (2) over bar0 > orientation, a trend which is consistent with the evolution of cracks. The recrystallization process happens in the indented regions for the load of 500 mN. Raman area mapping indicates that the distribution of strain field coincides well with the profile of defect-expanded dark regions, while the enhanced compressive stress mainly concentrates in the facets of the indentation.

Well-width dependence of in-plane optical anisotropy in (001) GaAs/AlGaAs quantum wells induced by in-plane uniaxial strain and interface asymmetry

The well-width dependence of in-plane optical anisotropy (IPOA) in (001) GaAs/AlxGa1-xAs quantum wells induced by in-plane uniaxial strain and interface asymmetry has been studied comprehensively. Theoretical calculations show that the IPOA induced by in-plane uniaxial strain and interface asymmetry exhibits much different well-width dependence. The strain-induced IPOA is inversely proportional to the energy spacing between heavy- and light-hole subbands, so it increases with the well width. However, the interface-related IPOA is mainly determined by the probability that the heavy- and light-holes appear at the interfaces, so it decreases with the well width. Reflectance difference spectroscopy has been carried out to measure the IPOA of (001) GaAs/AlxGa1-xAs quantum wells with different well widths. Strain- and interface-induced IPOA have been distinguished by using a stress apparatus, and good agreement with the theoretical prediction is obtained. The anisotropic interface potential parameters are also determined. In addition, the energy shift between the interface- and strain-induced 1H1E reflectance difference (RD) structures, and the deviation of the 1L1E RD signal away from the prediction of the calculation model have been discussed.

Room-temperature ferromagnetism and in-plane magnetic anisotropy characteristics of nonpolar GaN:Mn films

Diluted magnetic nonpolar GaN Mn films have been fabricated by implanting Mn ions into nonpolar aplane (1 1 (2) over bar 0) p-type GaN films and a subsequent rapid thermal annealing process. The ferromagnetism properties of the films were studied by means of superconducting quantum interference device (SQUID). Clearly in-plane magnetic anisotropy characteristics of the sample at 10 K were revealed with the direction of the applied magnetic field rotating along the in-plane [0 0 0 1]-axis. Moreover, obvious ferromagnetic properties of the sample up to 350 K were detected by means of the temperature-dependent SQUID. (C) 2009 Elsevier B.V. All rights reserved.

Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods

The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262]

Low power 2 x 2 thermo-optic SOI waveguide switch fabricated by anisotropy chemical etching

A 2 x 2 thermo-optic (TO) Mach-Zehnder (MZ) switch based on silicon waveguides with large cross section was designed and fabricated on silicon-on-insulator (SOI) wafer. The multi-mode interferometers (MMI) were used as power splitter and combiner in MZ structure. In order to get smooth interface, anisotropy chemical wet-etching of silicon was used to fabricate the waveguides instead of dry-etching. Additional grooves were introduced to reduce power consumption. The device has a low switching power of 235 mW and a switching speed of 60 mus. (C) 2004 Elsevier B.V. All rights reserved.