非对称Halo异质栅应变Si SOI MOSFET的二维解析模型

为了进一步提高深亚微米SOI (Silicon-On-Insulator) MOSFET (Metal-Oxide Semiconductor Field Effect Transistor) 的电流驱动能力, 抑制短沟道效应和漏致势垒降低效应, 提出了非对称Halo异质栅应变Si SOI MOSFET. 在沟道源端一侧引入高掺杂Halo结构, 栅极由不同功函数的两种材料组成. 考虑新器件结构特点和应变的影响, 修正了平带电压和内建电势. 为新结构器件建立了全耗尽条件下的表面势和阈值电压二维解析模型. 模型详细分析了应变对表面势、表面场强、阈值电压的影响, 考虑了金属栅长度及功函数差变化的影响. 研究结果表明,提出的新器件结构能进一步提高电流驱动能力, 抑制短沟道效应和抑制漏致势垒降低效应, 为新器件物理参数设计提供了重要参考. 关键词： 非对称Halo 异质栅 应变Si 短沟道效应     

Molecular properties with dual basis set methods

The dual basis set approach has proven to be very successful for accurately estimating total energies with large basis sets. This study extends the applications of this technique to the calculation of molecular properties, including energy derivatives with respect to nuclear positions and to an external electric field. All energy derivatives have been calculated numerically via finite-differences. Molecular gradients and Hessians as well as dipole moments and polarizabilites have been calculated at the HF and MP2 levels using two alternative versions of the dual basis set method. The accuracy of these approaches is discussed in the context of quality of basis sets used in calculations. It is shown that even quite poor results obtained with the 6-311G basis set are significantly improved in dual basis set calculations with the 6-311G(d,p) and 6-311G(3df,3dp) basis sets.     

Structural characterization of pseudo-binary semiconducting alloys using molecular simulations

Monte Carlo simulations with the Keating model have been performed to predict the lattice constant and bond length variations with composition for pseudo-binary semiconducting alloys. In general, it is observed that the deviations of the lattice constants from Vegard's law predictions are larger as the lattice mismatch between the constituent binaries increases. Further, it is noted that these alloys have partial virtual crystal model characteristics and tend to be more towards the flexible (floppy) crystal limit as compared to the rigid crystal limit. The topological rigidity parameters are bond-type dependent. The angular deviations from perfect tetrahedral structure are also measured.     

Entropic lattice Boltzmann method for turbulent flow simulations: Boundary conditions

We introduce a new concept of boundary conditions for realization of the lattice Boltzmann simulations of turbulent flows. The key innovation is the use of a universal distribution function for particles, analogous to the Tamm–Mott-Smith solution for the shock wave in the classical Boltzmann kinetic equation. Turbulent channel flow simulations demonstrate that the new boundary enables accurate results even with severely under-resolved grids. Generalization to complex boundary is illustrated with an example of turbulent flow past a circular cylinder.     

Non-local order in Mott insulators,duality and Wilson loops

It is shown that the Mott insulating and superfluid phases of bosons in an optical lattice may be distinguished by a non-local ‘parity order parameter’ which is directly accessible via single site resolution imaging. In one dimension, the lattice Bose model is dual to a classical interface roughening problem. We use known exact results from the latter to prove that the parity order parameter exhibits long range order in the Mott insulating phase, consistent with recent experiments by Endres et al. [M. Endres, M. Cheneau, T. Fukuhara, C. Weitenberg, P. Schauß, C. Gross, L. Mazza, M.C. Bañuls, L. Pollet, I. Bloch, et al., Science 334 (2011) 200]. In two spatial dimensions, the parity order parameter can be expressed in terms of an equal time Wilson loop of a non-trivial U(1)$U\left(1\right)$ gauge theory in 2+1$2+1$ dimensions which exhibits a transition between a Coulomb and a confining phase. The negative logarithm of the parity order parameter obeys a perimeter law in the Mott insulator and is enhanced by a logarithmic factor in the superfluid.     

Etude de la restauration de l'aluminium irradié aux electrons (Etape III)

The nature of the electron bombarded aluminium electrical recovery process has been studied by combining quenches with irradiations. Measured Frenkel pair formation rates per incident electrons as well as annealing kinetics emphasize the role of impurity interstitial trapping.     

Harmonics in the stress response of a WCA-Lennard-Jones liquid under oscillatory elongational flow

The WCA fluid shows a nonlinear behaviour toward a periodic elongational flow through the presence of higher harmonics in stress responses. At the same time the liquid remains purely viscous and isotropic. The absence of numerical artefacts is checked and the physical origin of the harmonics is discussed.     

Lattice-dynamical functions of solids at very high pressures

Abstract

Vibrational spectra of face-centered cubical (f.c.c.) solids are investigated at the pressure region, where the quantum-statistical model for the electron energy is applicable. Phonon dispersion curves are obtained for different values of the specific volume. The integration of the phonon spectra over the Brillouin zone yields the zero-point vibrational energy, the Debye temperature, the Gruneisen coefficient, mean-square amplitude of zero-point and thermal vibration, the melting temperature. All quantities under consideration are calculated from the universal functions of the reduced volume, using the scaling relations for given atomic number 2.     

Dynamics of surface dipole and tripole solitons in nonlocal nonlinear media with optical lattice field

We find the existence conditions for stationary dipole and tripole surface solitons formed at the interface of a nonlocal nonlinear medium and a lattice with linearly modulated frequency. We investigate how the degree of nonlocality, the depth, and the modulation frequency of the optical lattice field affect on the existence of the surface solitons and their dynamics. The relationship between the power and the model parameters is identified. The stability of the surface dipole and tripole solitons is numerically investigated.