半导体微腔中电偶极子的自发发射

由于反射电场的影响 ,电偶极子在微腔中的自发发射速率不同于自由空间中的自发发射速率。本文采用镜像法计算了理想平面微腔、金属平面镜组成的半导体微腔和由分布布喇格反射镜 (DBR)作为谐振腔的垂直发射激光器 (VCSEL)中电偶极子的自发发射速率。计算结果表明 :由于微腔的调制作用 ,在某些情况下电偶极子自发发射速率增加 。

Comparison of the time-domain electromagnetic field from an infinitesimal point charge and dipole source

An electromagnetic field is generated through the accelerating movement of two equal but opposite charges of a single dipole. An electromagnetic field can also be generated by a time-varying infinitesimal point charge. In this study, a comparison between the electromagnetic fields of an infinitesimal point charge and a dipole has been presented. First, the time-domain potential function of a point source in a 3D conductive medium is derived. Then the electric and magnetic fields in a 3D homogeneous lossless space are derived via the relation between the potential and field. The field differences between the infinitesimal point charge and the dipole in the step-off time, far-source, and near-source zones are analyzed, and the accuracy of the solutions from these sources is investigated. It is also shown that the field of the infinitesimal point charge in the near-source zone is different from that of the dipole, whereas the far-source zone fields of these two sources are identical. The comparison of real and simulated data shows that the infinitesimal point charge represents the real source better than the divole source.

Two-Dimensional Static Numerical Modeling and Simulation of AlGaN/GaN HEMT

AIGaN/GaN HEMTs are investigated by numerical simulation from the self-consistent solution of Schr6dinger-Poisson-hydrodynamic （HD） systems. The influences of polarization charge and quantum effects are considered in this model. Then the two-dimensional conduction band and electron distribution, electron temperature characteristics, Id versus Vd and Id versus Vg, transfer characteristics and transconductance curves are obtained. Corresponding analysis and discussion based on the simulation results are subsequently given.

A Scheme for Spin Manipulation in a Quantum Dot with Both Charge and Spin Bias

We propose a scheme for the effective polarization and manipulation of electron spin by using a quantum dot with both charge and spin bias. Using the equation of motion for Keldysh nonequilibrium Green function, we study the spin accumulation and polarization for the system. Through analytical analysis and a few numerical examples, it is demonstrated that fairly large spin accumulation and polarization can be produced due to the breaking symmetry of the chemical potential for different electron spin in the leads. Moreover, the direction and the strength of the spin polarization can be conveniently controlled and tuned by varying the charge bias or the gate voltage.

Molecular Dipole Moment Computed with Ab Initio MKS Charges

Molecular dipole moments computed at the levels of HF/STO-3G, HF/6-31G(d, p), HF/6-311+G(2d, 2p), MP2/6-31G(d, p) and MP2/6-311+G(2d, 2p) have been investigated. HF/6-311+G(2d, 2p) was found to be the relatively good choice to compute MKS charges for reproducing the experimental values of molecular dipole moments. Root mean square deviation of computed dipole moments for 21 small polar molecules is about 0.1969 D.

CH_2,NH,and O heteroatom substitution effects on the electronic,optical,and charge transport properties of a 2,1,3-benzothiadiazole-based derivative:Insights from theory

A set of CH2-,NH-,and O-substituted 2,1,3-benzothiadiazole(BTD)-based derivatives have been investigated theoretically in order to explore their electronic,optical,and charge transport properties.The calculation results show that the electronic and optical properties of the pristine molecule can be easily tuned through changing the S substituent in the central aromatic ring.Based on the calculated maximum emission wavelength,we predict that CH2-,NH-,and O-substituted BTD-based derivatives could be used as red,green,and orange light-emitting materials,respectively.After CH2-,NH-or O-substitution,the oscillator strengths of the emission spectra are enhanced with respect to that of the pristine molecule,implying that these compounds have larger fluorescence intensity.Finally,it can be deduced that CH2-,NH-,and O-substituted BTD-based derivatives may act as hole transport materials in organic light-emitting diodes.

Dipolar and electronic effects on charge transport through single transition metal complexes

Charge transport through single molecular neutral mono- and di-cobalt（Ⅱ） complexes with re-conjugated macromolecular wire was investigated. Scanning tunnelling spectroscopy （STS） studies revealed that the mono-cobalt（Ⅱ） complex showed a pronounced rectifying effect with a large rectification ratio and finely featured NDR peaks, while the di-cobalt（Ⅱ） complex showed a relatively symmetric electron transport without clear NDR peaks. The results are explained based on the dipolar and electronic effects.

Engineering the heterogeneous interfaces of inverse opals to boost charge transfer for efficient solar water splitting

Herein,we report a three-dimensional porous TiO_(2)/Fe_(2)TiO_(5)/Fe_(2)O_(3)(TFF)inverse opal through in situ thermal solid reactions for photoelectrochemical water splitting.The Fe_(2)TiO_(5) interfacial layer within TFF acting as a bridge to tightly connect to TiO_(2) and Fe_(2)O_(3) reduces the interfacial charge transfer resistance,and suppresses the bulk carrier recombination.The optimized TFF displays a remarkable photocurrent density of 0.54mAcm^(-2) at 1.23V vs.reversible hydrogen electrode(RHE),which is 25 times higher than that of TiO_(2)/Fe_(2)O_(3)(TF)inverse opal(0.02mAcm^(-2) at 1.23V vs.RHE).The charge transfer rate in TFF inverse opal is 2-8 times higher than that of TF in the potential range of 0.7-1.5V vs.RHE.The effects of the Fe_(2)TiO_(5) interfacial layer are further revealed by X-ray absorption spectroscopy and intensity-modulated photocurrent spectroscopy.This work offers an interfacial engineering protocol to improve charge separation and transfer for efficient solar water splitting.

Engineering of multiferroic BiFeO grain boundaries with head-to-head polarization configurations

Confined low dimensional charges with high density such as two-dimensional electron gas(2 DEG)at interfaces and charged domain walls in ferroelectrics show great potential to serve as functional elements in future nanoelectronics.However,stabilization and control of low dimensional charges is challenging,as they are usually subject to enormous depolarization fields.Here,we demonstrate a method to fabricate tunable charged interfaces with~77°,86°and 94°head-to-head polarization configurations in multiferroic Bi Fe O_(3) thin films by grain boundary engineering.The adjacent grains are cohesively bonded and the boundary is about 1 nm in width and devoid of any amorphous region.Remarkably,the polarization remains almost unchanged near the grain boundaries,indicating the polarization charges are well compensated,i.e.,there should be two-dimensional charge gas confined at grain boundaries.Adjusting the tilt angle of the grain boundaries enables tuning the angle of polarization configurations from 71°to 109°,which in turn allows the control of charge density at the grain boundaries.This general and feasible method opens new doors for the application of charged interfaces in next generation nanoelectronics.

Green perovskite light-emitting diodes with simultaneous high luminance and quantum efficiency through charge injection engineering

Metal halide perovskite light emitting diodes(PeLEDs)have recently experienced rapid development due to the tunable emission wavelengths,narrow emission linewidth and low material cost.To achieve stateof-the-art performance,the high photoluminescence quantum yield(PLQY)of the active emission layer,the balanced charge injection,and the optimized optical extraction should be considered simultaneously.Multiple chemical passivation strategies have been provided as controllable and efficient methods to improve the PLQY of the perovskite layer.However,high luminance under large injection current and high external quantum efficiency(EQE)can hardly be achieved due to Auger recombination at high carrier density.Here,we decreased the electron injection barrier by tuning the Fermi-level of the perovskite,leading to a reduced turn on voltage.Through molecular doping of the hole injection material,a more balanced hole injection was achieved.At last,a device with modified charge injection realizes high luminance and quantum efficiency simultaneously.The best device exhibits luminance of 55,000 cd m^-2 EQE of 8.02%at the working voltage of 2.65 V,current density of 115 mA cm^-2,and shows EQE T50 stability around 160 min at 100 mA cm^-2 injection current density.