Nonlocal wave propagation in an embedded DWBNNT conveying fluid via strain gradient theory

Based on the strain gradient and Eringen’s piezoelasticity theories, wave propagation of an embedded double-walled boron nitride nanotube (DWBNNT) conveying fluid is investigated using Euler–Bernoulli beam model. The elastic medium is simulated by the Pasternak foundation. The van der Waals (vdW) forces between the inner and outer nanotubes are taken into account. Since, considering electro-mechanical coupling made the nonlinear motion equations, a numerical procedure is proposed to evaluate the upstream and downstream phase velocities. The results indicate that the effect of nonlinear terms in motion equations on the phase velocity cannot be neglected at lower wave numbers. Furthermore, the effect of fluid-conveying on wave propagation of the DWBNNT is significant at lower wave numbers.     

Wetting layers effect on InAs/GaAs quantum dots

FEM combining with the K·P theory is adopted to systematically investigate the effect of wetting layers on the strain-stress profiles and electronic structures of self-organized InAs quantum dot. Four different kinds of quantum dots are introduced at the same height and aspect ratio. We found that 0.5 nm wetting layer is an appropriate thickness for InAs/GaAs quantum dots. Strain shift down about 3%∼4.5% for the cases with WL (0.5 nm) and without WL in four shapes of quantum dots. For band edge energy, wetting layers expand the potential energy gap width. When WL thickness is more than 0.8 nm, the band edge energy profiles cannot vary regularly. The electron energy is affected while for heavy hole this impact on the energy is limited. Wetting layers for the influence of the electronic structure is obviously than the heavy hole. Consequently, the electron probability density function spread from buffer to wetting layer while the center of hole's function moves from QDs internal to wetting layer when introduce WLs. When WLs thickness is larger than 0.8 nm, the electronic structures of quantum dots have changed obviously. This will affect the instrument's performance which relies on the quantum dots' optical properties.     

A theoretical model on surface electronic behavior: Strain effect

Deformation from mechanical loading can affect surface electronic behavior. Surface deformation and electronic behavior can be quantitatively expressed using strain and work function, respectively, and their experimental relationship can be readily determined using the Kelvin probing technique. However, the theoretical correlation between work function and strain has been unclear. This study reports our theoretical exploration, for the first time, of the effect of strain on work function. We propose a simple electrostatic action model by considering the effect of a dislocation on work function of a one-dimensional lattice and further extend this model to the complex conditions for the effect of dislocation density. Based on this model, we established successfully a theoretical correlation between work function and strain.     

Influence of the small substitution of Z=Ni, Cu, Cr, V for Fe on the magnetic, magnetocaloric, and magnetoelastic properties of LaFe11.4Si1.6

We have studied the magnetic, magnetocaloric, and magnetostriction properties of LaFe_11.4Si_1.6 and La(Fe_0.99Z_0.01)_11.4Si_1.6 (Z=Ni, Cu, Cr, V) compounds using magnetization and strain gauge techniques. It was found that substitution of 1% of the Fe by Z-elements results in an increase in the Curie temperature (T_C), and affects the magnetostriction and magnetocaloric properties of the parent compound, LaFe_11.4Si_1.6. A maximum shift in T_C of about 11 K, and significantly smaller hysteresis losses in the vicinity of T_C compared with those of the base compound, were found for Z=V. The maximum magnetovolume coupling constant was estimated to be n_dd≈2.7×10⁻³ (μ_B/Fe atom)⁻² for the parent compound. The changes in the volume magnetostriction, the magnetovolume coupling constant, and the magnetocaloric properties are strongly correlated with composition. The relative effects of the variation in cell parameters and electron concentration on the magnetostriction, T_C, and the magnetocaloric properties are discussed.     

应变纤锌矿GaN/A10.15Ga0.85N柱形量子点的光学性质:流体静压力效应

在有效质量近似下,考虑强的内建电场和应变对材料参量的影响,变分研究了流体静压力对有限高势垒应变纤锌矿GaN/Al_0.15Ga_0.85N柱形量子点中重空穴激子的结合能、发光波长和电子空穴复合率的影响.数值结果表明,激子结合能和电子空穴复合率随流体静压力的增大而近线性增大,发光波长随流体静压力的增大而单调减小.在量子点尺寸较小的情况下,流体静压力对激子结合能和电子空穴复合率的影响更明显.由于应变效应,为了获得有效的电子-空穴复合过程,GaN量子点的高度必须小于5.5 nm.     

应变和C掺杂对单层BN纳米片的电子结构和磁学性质的影响

利用基于密度泛函理论的第一性原理计算方法, 研究了应变和C原子掺杂对单层BN纳米片的电子结构和磁学性质的影响. 计算结果表明未掺杂的单层BN纳米片具有宽的直接带隙, 在压缩和拉伸应变的作用下, 带隙会分别增大和减小, 但应变对带隙的调制整体效果不太明显. 单个C原子掺入BN纳米片的态密度揭示体系呈现出半金属性(Half-metallicity), 磁矩主要源于C 2p态, 而B 2p和N 2p态在极化作用下也能提供部分磁矩. 两个C原子掺入BN纳米片时, 磁性基态会随着C原子的间距发生变化: 当两C原子为最近邻(nn)和次近邻(nnn)时, 反铁磁态为磁性基态; 而当两C原子为次次近邻(nnnn)时, 铁磁态为基态, 并且其态密度也显示出半金属性.