Nanocrystal growth of single-phase Si1−xGex alloys

We present the formation of single-phase Si_1−xGe_x (x=0.2, 0.4, 0.6, and 0.8) alloy nanocrystals dispersed in a SiO₂ matrix. The studied samples were prepared by co-sputtering with excess Si_1−xGe_x in SiO₂ of approximately 33 at%. Upon heat treatment, crystallization of Si_1−xGe_x alloys was examined by using X-ray diffraction and high-resolution transmission electron microscopy measurements. Single structure of face-centered cubic nanocrystals in a space group Fd-3m was concluded. The average nanocrystal size (from 2 nm to 10 nm) and the lattice constant a of the single-phase Si_1−xGe_x nanocrystals were found to increase with the Ge composition parameter x. Density functional theory-generalized gradient approximation calculation showed the replacement of Ge into the Si sites and vice versa.     

Influence of pressure on the properties of GaN/AlN multi-quantum wells – Ab initio study

Pressure dependence of physical properties of GaN/AlN multi-quantum wells (MQWs) was investigated using ab intio calculations. The influence of pressure was divided into two main contributions: pressure affecting the properties of GaN and AlN bulk semiconductors and an influence on systems of polar quantum wells deposited on various substrates. An influence of hydrostatic, uniaxial, and tetragonal strain on the crystallographic structure, polarization (piezoelectricity), and the bandgap of the bulk systems is assessed using ab initio calculations. It was shown that when a partial relaxation of the structure is assumed, the tetragonal strain may explain an experimentally observed reduction of pressure coefficients for polar GaN/AlN MQWs. The MQWs were also simulated directly using density functional theory (DFT) calculations. A comparison of these two approaches confirmed that nonlinear effects induced by the tetragonal strain related to lattice mismatch between the substrates and the polar MQWs systems are responsible for a drastic decrease of the pressure coefficients of photoluminescence (PL) energy experimentally observed in polar GaN/AlGaN MQWs.     

求解广义鞍点问题的一个新的类SOR算法

本文提出了求解广义鞍点问题的一个新的类SOR迭代算法,并分析了新算法的收敛性.数值实验结果表明新算法是十分有效的.     

Numerical study on Moore-Penrose inverse of tensors via Einstein product

Numerical Algorithms - The notation of Moore-Penrose inverse of matrices has been extended from matrix space to even-order tensor space with Einstein product. In this paper, we give the numerical...     

Multiplicity and asymptotic behavior of solutions for quasilinear elliptic equations with small perturbations

This paper considers the following general form of quasilinear elliptic equation with a small perturbation:$\{\begin{array}{c}?{\sum }_{i,j=1}^N{D}_j(a_{ij}(x,u)D_{i}u)+\frac{1}{2}{\sum }_{i,j=1}^N{D}_t{a}_{ij}(x,u)D_{i}u{D}_{j}u\hfill \\ =f(x,u)+\epsilon g(x,u),x\in \mathrm{\Omega },u\in H_0^1(\mathrm{\Omega }),\hfill \end{array}$ where $\mathrm{\Omega }?{\mathbb{R}}^N(N\ge 3)$ is a bounded domain with smooth boundary and $|\epsilon |$ small enough. We assume the main term in the equation to have a mountain pass structure but do not suppose any conditions for the perturbation term $\epsilon g(x,u)$. Then we prove the equation possesses a positive solution, a negative solution and a sign-changing solution. Moreover, we are able to obtain the asymptotic behavior of these solutions as $\epsilon \to 0$.     

Spectral analysis of the preconditioned system for the 3 × 3 block saddle point problem

Numerical Algorithms - In this work, we consider some preconditioning techniques for a class of 3 × 3 block saddle point problems, which arise from finite element methods for solving...     

Suppressing volume change and in situ electrochemical atom force microscopy observation during the lithiation/delithiation process for CuO nanorod array electrodes

Journal of Solid State Electrochemistry - A big challenge in the high-performance transition metal oxide anode for lithium-ion batteries (LIBs) is relieving the volume changes during the...     

Study on ethyl groups with two different orientations in [N(C2H5)4]2CuBr4

The crystal structure and phase transition temperature of [N(C₂H₅)₄]₂CuBr₄ are studied using X-ray diffraction and differential scanning calorimetry (DSC); measurements revealed a tetragonal structure and the two phase transition temperatures T_C of 204 K and 255.5 K. The structural geometry near T_C is discussed in terms of the chemical shifts for ¹H magic angle spinning (MAS) nuclear magnetic resonance (NMR) and ¹³C cross-polarization (CP)/MAS NMR. The two inequivalent ethyl groups are distinguishable by the ¹³C NMR spectrum. The molecular motions are discussed in terms of the spin–lattice relaxation times T_1ρ in the rotating frame for ¹H MAS NMR and ¹³C CP/MAS NMR. The T_1ρ results reveal that the ethyl groups undergo tumbling motion, and furthermore that the ethyl groups are highly mobile.