Theoretical calculations of spin-Hamiltonian parameters and defect structures for Cu2+ in trigonally-distorted tetrahedral sites of ZnO and GaN crystals

The spin-Hamiltonian (SH) parameters (g factors g _//, g ⊥ and hyperfine structure constants ⁶³ A _//, ⁶³ A ⊥, ⁶⁵ A _//, ⁶⁵ A ⊥) for Cu²⁺ ions in the trigonally-distorted tetrahedral sites of ZnO and GaN crystals are calculated from a complete diagonalization (of energy matrix) method (CDM) based on a two spin-orbit parameter model for d ⁹ ions in trigonal symmetry. In the method, the Zeeman and hyperfine interaction terms are added to the Hamiltonian in the conventional CDM. The calculated results are in good agreement with the experimental values. The calculated SH parameters are also compared with those using the traditional diagonalization method or perturbation method only within the ² T ₂ term. It appears that, for exact calculations of SH parameters of d ⁹ ions in trigonal tetrahedral clusters in crystals, the present CDM is preferable to the traditional diagonalization method or perturbation method within the ² T ₂ term. The local structures of Cu²⁺ centers (which differ from the corresponding structure in the host crystal) in ZnO : Cu²⁺ and GaN : Cu²⁺ are obtained from the calculations. The results are discussed.     

Investigation of the Kinetics of Curing Reaction for the Resin Matrix Polymer Composite Based on Near-Infrared Spectroscopy

Abstract

Near-infrared (NIR) spectroscopy is a rapid and nondestructive method for the simultaneous measurement of different constituents in resin matrix polymer composites. This strategy has been applied in the synthesis of resin matrix polymer composites. In this article, we mainly review the control of curing reaction kinetics of the phenolic, epoxy resin, polyester resin, polyurethane, and other polymer resin based on NIR spectra, which is important to control the quality of the resin matrix polymer composites during synthesis.     

Resonance Light Scattering Study on the Formation of a Manganese (II) Coordination Supramolecular Polymer and Its Analytical Application

The formation of a manganese (II) coordination supramolecular polymer was studied by resonance light scattering spectra for manganese (II) detection. Bis-sulfosalophen (a ditopic tetradentate Schiff base ligand) and bis-phenanthroline-glutaraldehyde (a ditopic bidentate ligand) were prepared for the construction of the supramolecular polymer. In a procedure of manganese (II) detection, manganese (II) ion reacts with bis-sulfosalophen to form a binuclear manganese (II) complex. The binuclear complex then self-assembles with bis-phenanthroline-glutaraldehyde to form the supramolecular polymer, resulting in the production of strong resonance light scattering signal. The amount of manganese was detected by measuring the resonance light scattering intensity. Under optimal conditions, a linear range was found to be 0.5–50.0 ng/mL, with a detection limit of 0.1 ng/mL. The method has been successfully applied to determine manganese in vegetable and tea samples with relative standard deviations of less than 5% and recoveries of 95.8–105.7%.     

Effect of mechanical force on domain switching in BiFeO_3 ultrathin films

Ferroelectric polarization can be switched by an external applied electric field and may also be reversed by a mechanical force via flexoelectricity from the strain gradient.In this study,we report the mechanical writing of an epitaxial BiFeO3(BFO)thin film and the combined action of an applied mechanical force and electric field on domain switching,where the mechanical force and electric field are applied using the tip of atomic force microscopy.When the applied force exceeds the threshold value,the upward polarization of the BFO thin film can be reversed by pure mechanical force via flexoelectricity;when an electric field is simultaneously applied,the mechanical force can reduce the coercive electric field because both the piezoelectricity from the homogeneous strain and the flexoelectricity from strain gradient contribute to the internal electric field in the film.The mechanically switched domains exhibit a slightly lower surface potential when compared with that exhibited by the electrically switched domains due to no charge injection in the mechanical method.Furthermore,both the mechanically and electrically switched domains exhibit a tunneling electroresistance in the BFO ferroelectric tunnel junction.     

Effect of defects on the electronic structure of a PbI2/MoS2 van der Waals heterostructure: A first-principles study

PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structures of a PbI2/MoS2 heterointerface has been systematically investigated.The manner in which the defects modulate the band structure of PbI2/MoS2,including the band gap,band edge,band alignment,and defect energy-level density within the band gap is discussed herein.It is shown that sulfur defects tune the band gaps,iodine defects shift the positions of the band edge and Fermi level,and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap,thus enhancing the light-absorption ability of the material.     

Dark energy versus modified gravity: Impacts on measuring neutrino mass

In this paper,we make a comparison for the impacts of smooth dynamical dark energy,modified gravity,and interacting dark energy on the cosmological constraints on the total mass of active neutrinos.For definiteness,we consider theΛCDM model,the w CDM model,the f(R)model,and two typical interacting vacuum energy models,i.e.,the IΛCDM1 model with Q=βHρc and the IΛCDM2 model with Q=βHρΛ.In the cosmological fits,we use the Planck 2015 temperature and polarization data,in combination with other low-redshift observations including the baryon acoustic oscillations,the type Ia supernovae,the Hubble constant measurement,and the large-scale structure observations,such as the weak lensing as well as the redshift-space distortions.Besides,the Planck lensing measurement is also employed in this work.We find that,the w CDM model favors a higher upper limit on the neutrino mass compared to theΛCDM model,while the upper limit in the f(R)model is similar with that in theΛCDM model.For the interacting vacuum energy models,the IΛCDM1 model favors a higher upper limit on neutrino mass,while the IΛCDM2 model favors an identical neutrino mass with the case ofΛCDM.     

An improved evaluation of the neutron background in the PandaX-Ⅱ experiment

In dark matter direct detection experiments,neutron is a serious source of background,which can mimic the dark matter-nucleus scattering signals.In this paper,we present an improved evaluation of the neutron background in the PandaX-II dark matter experiment by a novel approach.Instead of fully relying on the Monte Carlo simulation,the overall neutron background is determined from the neutron-induced high energy signals in the data.In addition,the probability of producing a dark-matter-like background per neutron is evaluated with a complete Monte Carlo generator,where the correlated emission of neutron(s)andγ(s)in the(α,n)reactions and spontaneous fissions is taken into consideration.With this method,the neutron backgrounds in the Run 9(26-ton-day)and Run 10(28-ton-day)data sets of PandaX-II are estimated to be(0.66±0.24)and(0.47±0.25)events,respectively.     

激光惯性约束聚变靶制备技术研究进展

在实验室实现聚变反应释放的能量大于点燃聚变反应所需能量的阈值是当今世界ICF研究的主要目标,实现这一目标仍需要深入研究一系列的关键物理问题。在ICF研究中,制靶能力的发展与提升至关重要,靶的质量是实验成功的核心要素之一。本文介绍了国际ICF靶制备工作近年来在新型烧蚀层材料靶丸、新型靶丸支撑技术、优化黑腔材料与构型以及减小燃料填充管直径等方面取得的一系列进展,并结合ICF物理需求,简要阐述了ICF靶的发展趋势。     

1.3 GHz超导腔磁通排出效应研究

设计并搭建了一套高精度的磁场测量和补偿系统,并结合中国科学院高能物理研究所（IHEP）的2K超导腔垂直测试平台对1.3 GHz 单加速间隙超导腔的磁通排出效应开展了实验研究：利用研制的磁场测量和补偿系统能够精密地测量超导腔赤道位置磁场,并能够将磁场补偿至小于5.0×10⁻⁸ T;并对超导腔不同表面温度梯度下的磁通排出效应进行了测量分析;对钉扎了磁场的超导腔进行了射频性能测试,研究了超导腔电阻对磁通钉扎的敏感度,以及在不同电场梯度下超导腔的表面电阻变化情况。结果表明,研制的高精度磁场测量和补偿系统能够满足超导腔磁通排出研究的需求;高的超导腔表面温度梯度有利于磁通的排出;磁通钉扎电阻的敏感度随着加速电场梯度的增加而增大,导致超导腔的性能下降。此实验研究也为后续超导腔的研制奠定了一定基础。     

HgCdTe薄膜的输运特性及其应力调控

窄禁带直接带隙半导体材料碲镉汞(Hg1–xCdxTe)是一种在红外探测与自旋轨道耦合效应基础研究方面都具有重要应用意义的材料.本文对单晶生长的体材料Hg0.851Cd0.149Te进行阳极氧化以形成表面反型层,将样品粘贴在压电陶瓷上减薄后进行磁输运测试,在压电陶瓷未加电压时观察到了明显的SdH振荡效应.对填充因子与磁场倒数进行线性拟合,获得样品反型层二维电子气的载流子浓度为ns=1.25×10^16m^-2.在不同磁场下,利用压电陶瓷对样品进行应力调控,观测到具有不同特征的现象,分析应是样品中存在二维电子气与体材料两个导电通道.零磁场下体材料主导的电阻的变化应来源于应力导致的带隙的改变;而高场下产生类振荡现象的原因应为应力导致的二维电子气能级的分裂.