Evaluation of Charged Defect Energy in Two-Dimensional Semiconductors for Nanoelectronics: The WLZ Extrapolation Method

Defects play a central role in controlling the electronic properties of two-dimensional (2D) materials and realizing the industrialization of 2D electronics. However, the evaluation of charged defects in 2D materials within first-principles calculation is very challenging and has triggered a recent development of the WLZ (Wang, Li, Zhang) extrapolation method. This method lays the foundation of the theoretical evaluation of energies of charged defects in 2D materials within the first-principles framework. Herein, the vital role of defects for advancing 2D electronics is discussed, followed by an introduction of the fundamentals of the WLZ extrapolation method. The ionization energies (IEs) obtained by this method for defects in various 2D semiconductors are then reviewed and summarized. Finally, the unique defect physics in 2D dimensions including the dielectric environment effects, defect ionization process, and carrier transport mechanism captured with the WLZ extrapolation method are presented. As an efficient and reasonable evaluation of charged defects in 2D materials for nanoelectronics and other emerging applications, this work can be of benefit to the community.     

区间中立型大系统的强壮稳定性

本文讨论中立型大系统,获得了这类问题稳定性的一些充分判据,作为特殊情况,还得到了与[1-11]中相应的一些不同的结果.这些结果并不象文献[1]和[2]那样,要求a_(ii)的上界q_(ii)小于零.     

具连续分布滞量的非线性中立型抛物偏泛函微分方程的振动性

考虑一类具连续分布滞量的非线性中立型抛物偏泛函微分方程解的振动性,借助Green定理和时滞微分不等式获得了这类方程在Robin,Dirichlet边值条件下所有解振动的若干充分条件.     

四（对-羟基苯基）卟啉氧合配合物的室温固相合成，表征及氧合能力

采用固相反应合成了四羟基苯基卟啉与与Fe^2＋,Co^2＋金属离子的配合物,在室温下,将其与分子O2作用,提纯后得到两种固态氧合配合物．通过元素分析、红外光谱（IR）、核磁共振氢谱（^1HNMR）、电导、热分析（TG／DTA）、紫外光谱（UV）等测试手段确定了氧合配合物的组成为[Co·THPP·O2]（NO3）2·2H2O、[Fe·THPP·O2]Cl2·2H2O]，可知1mol配合物吸收了1molO2,采用失重法测定了氧合配合物中的配位氧,确定1mol金属配合物吸收1molO2形成超氧配合物．     

Ultrafast carrier dynamics in ferromagnetic InGaMnAs

We have carried out an ultrafast time-resolved differential reflectivity study of a ferromagnetic semiconductor InGaMnAs and made a systematic comparison with low-temperature grown and high-temperature grown InGaAs reference films. Very short carrier lifetimes (2 ps) were observed in InGaMnAs and the low-temperature grown InGaAs film, but not in the high-temperature grown InGaAs film. We attribute the short lifetimes to carrier trapping by mid-gap states introduced during low-temperature MBE growth. Furthermore, at long times, we observed periodic oscillations in the differential reflectivity signal with period 20 ps, which we interpret as coherent acoustic phonons.     

应变Si1-xGex层中p型杂质电离常温和低温特性

本文采用解析的方法计算了应变Si1-xGex层中p型杂质电离度与Ge组分x、温度T以及掺杂浓度N的关系.发现常温时,在同一Ge组分下,随着掺杂浓度的升高,杂质的电离度的先变小,而后又迅速上升到1.在同一掺杂浓度下,轻掺杂时,杂质的电离度随Ge组分的增加先变大,而后几乎不变;重掺杂时,杂质电离能变为0后,杂质电离度为1.低温下,轻掺杂时,载流子低温冻析效应较为明显,杂质的电离度普遍较小,当掺杂浓度大于Mott转换点时,载流子冻析效应不再明显,电离率迅速上升到1.在同一Ge组分下,随着掺杂浓度的升高,杂质的电离度先变小,后变大,而后又迅速上升到1.在同一掺杂浓度下,轻掺杂时,杂质的电离度随Ge组分的增加变大;重掺杂时,杂质电离能变为0后,杂质电离度为1.     

An existence theorem for neutral variational problems of Bolza

This note proves an existence theorem for a generalized Bolza-type problem that has time delays in both the state and velocity variables. The assumptions are stated in terms of a modification of the classical Hamiltonian, and extend ideas of Rockafellar to the delay case.     

OSCILLATION FOR NONLINEAR NEUTRAL DIFFERENTIAL EQUATIONS

ＯＳＣＩＬＬＡＴＩＯＮＦＯＲＮＯＮＬＩＮＥＡＲＮＥＵＴＲＡＬＤＩＦＦＥＲＥＮＴＩＡＬＥＱＵＡＴＩＯＮＳ（申建华）（王志成）湖南大学，邮编：４１００８２ＳｈｅｎＪｉａｎｈｕａ；ＷａｎｇＺｈｉｃｈｅｎｇ（ＨｕｎａｎＵｎｉｖｅｒｓｉｔｙ，）Ａｂｓｔｒａｃｔ...     

Theoretical study of anion carriers based on trifluoroacetophenone

Model calculations on anion carrier ligands related to trifluoroacetophenone were carried out using the semiempirical AM 1 method in order to investigate the factors involved in such anion-ligand complexation. The reaction of halogen derivatives of acetophenone with various nucleophiles such as water, carbonic acid, and bicarbonate anion was studied. By this means, the effect of various structural changes, such as variation of the ring substituents and variation of the degree and type of halogen atom substitution, could be determined. It is shown that in terms of relative stability, fluorine derivatives are preferable to chlorine derivatives for the binding of water and carbonic acid. Monosubstitution of a methoxy group in the ortho position of the trifluoroacetophenone ring also brought about stability in the case of the hydration reaction. An electron-withdrawing ester group in the para position on the trifluoroacetophenone ring brings about stabilization also.     

一类具无穷时滞泛函微分方程的周期解

讨论具有无穷时滞中立型泛函微分方程$ \frac{\rm d}{{\rm d}t}\left(x(t)-\int_{-\infty}^{0}g(s,x(t+s)){\rm d}s\right) =A(t,x(t))x(t)+f(t,x_t)$的周期解问题,利用重合度理论中的延拓定理得到了周期解的存在性和唯一性条件;特别地,当$g(s,x)\equiv 0, A(t,x)=A(t)$时, 给出了存在唯一稳定周期解的条件.