Progress on two-dimensional ferrovalley materials

The electron's charge and spin degrees of freedom are at the core of modern electronic devices. With the in-depth investigation of two-dimensional materials, another degree of freedom, valley, has also attracted tremendous research interest. The intrinsic spontaneous valley polarization in two-dimensional magnetic systems, ferrovalley material, provides convenience for detecting and modulating the valley. In this review, we first introduce the development of valleytronics.Then, the valley polarization forms by the p-, d-, and f-orbit that are discussed. Following, we discuss the investigation progress of modulating the valley polarization of two-dimensional ferrovalley materials by multiple physical fields, such as electric, stacking mode, strain, and interface. Finally, we look forward to the future developments of valleytronics.

Quaternary Oxide of Cerium, Terbium, Praseodymium and Zirconium for Three-Way Catalysts

Oxygen storage-capacity （OSC）, oxygen buffer capacity （OBC）, X-my diffraction and electron diffraction pattern, high resolution electron microscopy were used to study the quaternary oxides, i .e., of Ce, Tb, Pr and Zr. （Ce0.6 Tb0.2Zr0.2O2- δ and Ce0.6Pr0.2Zr0.2O2-δ ）. OSC and OBC data indicate that these oxides have very good oxygen transfer capacity （OTC） and their pseudo-solid solutions exhibit fluorite-type structure. These oxides may act as a good candidate for three-way catalysts （TWC）.

Electroluminescence of an n-ZnO/p-GaN Heterojunction under Forward and Reverse Biases

Electroluminescent characteristics of n-ZnO/p-GaN heterojunctions under forward and reverse biases are studied. Emissions at 389nm and 57Ohm are observed under forward bias. An unusual emission at 390ram appears under reverse bias, and is attributed to the recombination in the p-GaN side of the heterojunction. The yellow emission peaked at 57Ohm is suppressed under reverse bias. The light intensity exponentially depends on the reverse current. The emission under reverse bias is correlated to tunnelling carrier transport in the heterostructure. Our results also support that the well-known yellow band of GaN comes from the transitions between some near-conduction-band-edge states and deep localized acceptor states.

Optical Performance and Nonlinear Scattering of Soluble Polystyrene Grafted Multi-Walled Carbon Nanotubes

Three soluble polystyrene grafted multi-walled carbon nanotube （MWNT） samples are synthesized, and their optical performance and nonlinear scattering properties are investigated by z-scan method using nanosecond pulses of 532 nm from a frequency-doubled Q-switched Nd： YLF laser. Analysis of the experimental results shows that other than nonlinear scattering, nonlinear absorption plays a major role in optical limiting performance of these stable and well-dispersed suspensions. These new synthesized materials which can be better dispersed in common organic solvents than MWNT itself can be considered as potential sources for further optical applications.

Designing a P2-type cathode material with Li in both Na and transition metal layers for Na-ion batteries

P2-type layered oxides have been considered as promising cathode materials for Na-ion batteries,but the capac-ity decay resulting from the Na+/vacancy ordering and phase transformation limits their future large-scale applica-tions.Herein,the impact of Li-doping in different layers on the structure and electrochemical performance of P2-type Na_(0.7)Ni_(0.35)Mn_(0.65)O_(2) is investigated.It can be found that Li ions successfully enter both the Na and transition metal layers.The strategy of Li-doping can improve the cycling stability and rate capability of P2-type layered oxides,which promotes the development of high-performance Na-ion batteries.

The structural and spectroscopic properties for uranium oxides

The equilibrium structures, the charge population, and the spectroscopic properties of UO, UO2, UO3, and U2O3 molecules are systematically investigated using the density functional theory （DFT） with the method of generalized gradient approximation （GGA）. The bond lengths and the vibrational frequencies of the ground states of UO, UO2, and UO3 molecules are all in agreement with available experimental data. For U2O3 molecules, our calculations indicate that the ground state of the U203 molecule is an XTA1 state with Dah （trigonal bipyramid） symmetry （R1 （U O）=0.2113 nm, R2（U1 U2）=0.2921 nm, ZU1OU2 = 87.5° , dihedral angle O（U,O1,O2,O3）=62.40°）. The harmonic frequency, the IR intensity and the spin density of the U2Oa molecule are all obtained for the first time in theory. For the ground state of U203 molecules, the vibrational frequencies are 178.46 （Ai）, 276.79 （E1＇＇）, 310.77 （EL）, 396.63 （AS＇）, 579.15 （El）, and 614.98 （A1＇） cm-1. The vibrational modes corresponding to the IR maximum peaks are worked out for UO3 and U203 molecules. Besides, the results of Gophinatan-Jng bond order indicate that UO, UO2, and UO3 molecules possess U=O double bonds and that the U203 molecule possesses U O single bonds and a U-U single bond.

Highly Oriented Diamond Film Growth by Atomic Force Microscopy

Diamond thin films are grown with microwave plasma chemical vapor deposition method on silicon(100)substrates from methane/hydrogen gas mixture,and characterized with atomic force microscopy The results show that most of the diamond crystallites are highly oriented with the(100)planes parallel to the silicon substrate.Layer structures are found in the film,indicating a combination of layer-by-layer and island growth.Raman spectrum and x-ray diffraction also confirm the present results.

A New Molecular-Dynamics Approach for Fully Relaxed Crystals at Constant Pressure

A new molecular-dynamics method at constant pressure has been proposed.As the three edge vectors of a crystal cell as well as the position vectors of all particles are taken as independent variables,this method allows the crystal to relax fully.Furthermore,the effect of pressure on the crystal structure is explicitly given in this approach.As an example,the evolution process of cobalt from a structure far from the final one to the ideal hexagonal close packing structure was given.

Equilibrium Segregation to Free Surface:Kinet ics and Experiment

Fick's first law is modified with an additional term df(x)/dx to describe the segregation phenomenon,f(x)is a local,analytical function related to the depth profile at equilibrium.It thus can be determined experimentally by depth profiling technique.Segregation starting in an initially homogeneous solid is described by an inhomogeneous diffusion equation on the half-infinite domain.Segregation with and without formation of overlayer suggests different boundary conditions.The solution for the Ansatz f(x)=as exp(-x/d_(s))is in perfect agreement with experimental results on sulphur segregation to the surface of titanium.Independent from the detailed kinetics,activation energy can be inferred from the surface concentration evolution under different temperatures.For sulphur segregation in titanium,E_(act)=718 meV/atom.

Dissociation of CO on Oxygen Contaminated Ni{001}c(2×2)-Al Surface at Room Temperature

The dissociation of CO on oxygen contaminated Ni{001}c(2×2)-Al surface at room temperature has been observed by electron energy loss spectroscopy.The CO dissociation rate is proportional to the oxygen contamination on the surface.

High Heat Flux Tests of Small-scale Be/Cu Mock-ups for ITER

High temperature HIP joining technology of Be/CuCrZr alloy or DS-Cu has been applied by Europe and Japan for the frabrication of ITER first wall. At the first stage of our research, high temperature HIP joining of Be/CuCrZr alloy was investigated by referencing their successful experience and Ti was selected as interlayer. Since the first wall will receive high heat flux during ITER operation, the heat load resistance capabilities, in particular thermal fatigue property is a crucial criterion of FW mock-ups. In order to test the heat load resistance capabilities of Be/CuCrZr joints, an electron beam heat load facility with beryllium handling capability has been constructed and heat removal performances and thermal cycling tests of Be/CuCrZr joints were carried out.

Photoluminescence Properties of Er-doped SiC Thin Film

Hydrogenated amorphous silicon carbide （a-SixC1-x：H） films were grown on Si substrate by plasma-enhanced chemical vapor deposition. Fixed flow rate of H2 and different flow ratio of SiHJCH4 were used. Er-doped a-SixC1-x ： H （a-SixC1-x-H ：Er） films were prepared by implanting Er into the a- Si,C1-x-H host materials followed by annealing at different temperatures. The structure properties of the films were characterized by X-ray photoelectron spectroscopy （XPS）, Raman spectra. infrared absorption Photoluminescence spectra （IR） and （PL） intensities depending on flow rates and annealing temperatures were studied. High annealing temperature is not favorable for PL because of C-surface segregation. It is shown that thermal quenching of this material is small by comparing the PL intensities of a-SixC1-x-H： Er at room temperature and low temperature.

Positive and Negative Pulse Etching Method of Porous Silicon Fabrication

We present a new method in which both positive and negative pulses are used to etch silicon for fabrication of porous silicon （PS） monolayer. The optical thickness and morphology of PS monolayer fabricated with different negative pulse voltages are investigated by means of reflectance spectra, scanning electron microscopy and photoluminescence spectra. It is found that with this method the PS monolayer is thicker and more uniform. The micropores also appear to be more regular than those made by common positive pulse etching. This phenomenon is attributed to the vertical etching effect of the PS monolayer being strengthened while lateral etching process is restrained. The explanation we propose is that negative pulse can help the hydrogen cations （H^＋） in the electrolyte move into the micropores of PS monolayer. These H^＋ ions combine with the Si atoms on the wall of new-formed micropores, leading to formation of Si-H bonds. The formation of Silt bonds results in a hole depletion layer near the micropore wall surface, which decreases hole density on the surface, preventing the micropore wall from being eroded laterally by F^- anions. Therefore during the positive pulse period the etching reaction occurs exclusively only at the bottom of the micropores where lots of holes are provided by the anode.

Thermal stability and electrical properties of copper nitride with In or Ti

Thin films of ternary compounds CuxlnyN and CuxTiyN were grown by magnetron sputtering to improve the thermal stability of Cu3N, a material that decomposes below 300 ℃, and thus promises many interesting applications in directwriting. The effect of In or Ti incorporation in altering the structure and physical properties of copper nitride was evaluated by characterizing the film structure, surface morphology, and temperature dependence of electrical resistivity. More Ti than In can be accommodated by copper nitride without completely deteriorating the Cu3N lattice. A small amount of In or Ti can improve the crystallinity, and consequently the surface morphology. While the decomposition temperature is rarely influenced by In, the Ti-doped sample, Cu59.31Ti2.64N38.05, shows an X-ray diffraction pattern dominated by characteristic Cu3N peaks, even after annealing at 500 ℃. Both In and Ti reduce the bandgap of the original Cu3N phase, resulting in a smaller electrical resistivity at room temperature. The samples with more Ti content manifest metal-semiconductor transition when cooled from room temperature down to 50 K. These results can be useful in improving the applicability of copper-nitride-based thin films.

Molecular dynamics simulations of point defects in plutonium grain boundaries

A modified analytic embedded atom method （MAEAM） potential is constructed for fcc 5-Pu. Molecular dynamics （MD） simulations with the potential are performed to investigate the interactions between two symmetrical tilt grain boundaries （GBs） and point defects such as He atom, vacancy and self-interstitial atom （SIA） in Pu. The calculated results show that point defect formation energies are on average lower than those in the lattice but variations from site to site along the GBs are very remarkable. Both substitutional and interstitial He atoms are trapped at GBs. Interstitial He atom is more strongly bound at the GB core than the substitutional He atom. The binding energy of SIA at GB core is higher than those of He atom and vacancy. GB core can bind many He atoms and SIAs due mainly to the fact that it contains many vacancies. Compared with He atom and SIA, the vacancy far from GB core is difficult to diffuse into the core. The GBs can act as sinks and sources of He atoms and SIAs, which may be a reason for the swelling of Pu after a period of self-irradiation because of the higher concentration of vacancy in the bulk.

Photoluminescence study on Eu-implanted GaN

The photoluminescence （PL） properties of Eu-implanted GaN thin films are studied. The experimental results show that the PL intensity is seriously affected by ion implantation conditions. The PL efficiency increases exponentially with annealing temperature increasing up to a maximum temperature of 1050℃. Moreover, the PL intensity for the sample implanted along the channelling direction is nearly twice more than that observed from the sample implanted along the random direction. The thermal quenching of PL intensity from 10K to 300K for sample annealed at 1050℃ is only 42.7%.

Cross-Polarized Single Photon Emission from Single Semiconductor Quantum Dots with V-Type Level Driven by Pulse Field

The statistic properties of photon emissions from single semiconductor quantum dots with V-type leveldriven by pulses are investigated theoretically.Based on quantum regression theorem and master equations,the dynamicequations of the second-order correlation function of the photon emissions are deduced.The calculated results reveal thatthe efficiency of single photon emissions from two orthogonal polarization eigenstates(|x〉and |y〉)reaches the maximumwhen the input pulses area is about π,and the probability of the cross-polarized single photon emission from |x〉and |y〉decreases with increasing of pulse width.

Effect of Wafer Size on the Film Internal Stress Measurement by Wafer Curvature Method

Wafer curvature method has been applied to determine the internal stress in the films using Stoney＇s equation.During the film deposition,the wafer fixation on the sample holder will restrict the deformation of the rectangle-shaped wafer,which may result in the stress datum difference along length and width direction.In this paper,the effect of wafer size and the wafer fixation on the TiN film internal stress measured by wafer curvature method was discussed.The rectangle-shaped wafers with different length/width ratios（L/W=1：1,2：1,3：1 and 4：1） were fixed as a cantilever beam.After the TiN films deposition,the profiles of the film/wafer were measured using a stylus profilometer and then the internal stress was calculated using the Stoney equation in the film.The results showed that the fixed end of the wafers limited to some degree the curvature of the wafers along the width direction.For film internal stress measured by wafer curvature method,the wafer profile should be scanned along the length direction and the scan distance should be greater than or equal to half of wafer length.When the length/width ratio of the wafer reached 3：1,the wafer curvature and the calculated stress were basically the same at different positions along the length direction.For film internal stress measured by wafer curvature method,it was recommended that the length/width ratio of wafer should be considered to be greater than or equal to 3：1,and the deformed profile was scanned along the length direction.

Luminescent Characteristics of Near Ultraviolet InGaN/GaN MQWs Grown on Grooved Sapphire Substrates Fabricated by Wet Chemical Etching

InGaN/GaN multiple quantum wells （MQWs） are grown on planar and maskless periodically grooved sapphires by metal organic vapour phase epitaxy （MOCVD）. High-resolution x-ray rocking curves and transmission electron microscopy （TEM） are adopted to characterize the film quality. Compared with the MQWs grown on planar sapphire, the sample grown on grooved sapphire shows better crystalline quality： a remarkable reduction of dislocation densities is achieved. Meanwhile, the MQWs grown on grooved sapphire show two times larger PL intensity at room temperature. Temperature-dependent PL measurements are adopted to investigate the luminescence properties. The luminescence thermal quenching based on a fit to the Arrhenius plot of the normalized integrated PL intensity over the measured temperature range suggests that the nonradiative recombination centres （NRCs） are greatly reduced for the sample grown on grooved sapphire. We assume that the reduction of dislocations which act as NRCs is the main reason for the sample grown on pattern sapphire having higher PL intensity.

Optical Limiting Properties of Two Soluble Polymer/Multi-Walled Carbon Nanotube Composites

Two soluble polymer grafted multi-walled carbon nanotubes （MWNTs）, including poly（N-vinylcarbazole）-MWNTs and poly（methyl methacrylate）-MWNTs, are synthesized. Their nonlinear optical properties and opticaJ limiting （OL） performances are investigated by z-scan method with 527nm nanosecond laser pulses. These grafted MWNTs dissolved in chloroform show much better optical limiting performance than those of MWNTs and C60 in toluene solution. Nonlinear absorption and nonlinear scattering mechanism are taken into consideration for explaining the observed results. The comparison of the experimental results shows that nonlinear absorption is the dominant mechanism for OL performance of these new samples.