Synthesis and characterization of Ca2Sn1-xCexO4 with blue luminescence originating from Ce^4＋ charge transfer transition

Ce^4＋-doped Ca2SnO4 with a one-dimensional structure, which emits bright blue light, is prepared by using a solid-state reaction method. The x-ray diffraction results show that the Ce^4＋ ions doped in Ca2SnO4 occupy the Sn^4＋ sites. The excitation and emission spectra of Ca2Sn1-xCexO4 appear to have broad bands with peaks at - 268nm and -442nm, respectively. A long excited-state lifetime （-83μs） for the emission from Ca2Sn1-xCexO4 suggests that the luminescence originates from a ligand-to-metal Ce^4＋ charge transfer （CT）. The luminescent properties of Ca2Snl_xCexO4 have been compared with those of Sr2CeO4, which is the only material reported so far to show Ce^4＋ CT luminescence. More interestingly, it is observed that the emission intensity of Ca2Sn1-xCexO4 with a small doping concentration （x - 0.03） is comparable to that of Sr2CeO4 in which the concentration of active centre is 100%.     

Slight Co-doping tuned magnetic and electric properties on cubic BaFeO3 single crystal

The single crystal of cubic perovskite BaFeO$_{3}$ shows multiple magnetic transitions and external stimulus sensitive magnetism. In this paper, a 5%-Co-doped BaFeO$_{3}$ (i.e. BaFe$_{0.95}$Co$_{0.05}$O$_{3})$ single crystal was grown by combining floating zone methods with high-pressure techniques. Such a slight Co doping has little effect on crystal structure, but significantly changes the magnetism from the parent antiferromagnetic ground state to a ferromagnetic one with the Curie temperature $T_{\rm C} \approx 120$ K. Compared with the parent BaFeO$_{3}$ at the induced ferromagnetic state, the saturated magnetic moment of the doped BaFe$_{0.95}$Co$_{0.05}$O$_{3}$ increases by about 10% and reaches 3.64 $\mu_{\rm B}$/f.u. Resistivity and specific heat measurements show that the ferromagnetic ordering favors metallic-like electrical transport behavior for BaFe$_{0.95}$Co$_{0.05}$O$_{3}$. The present work indicates that Co-doping is an effective method to tune the magnetic and electric properties for the cubic perovskite phase of BaFeO$_{3}$.     

New levels and transitions in ^72Ge following thedecay of ^72Ga

The decay of ^72Ga has been investigated by means of γ-ray spectroscopy. The 72Ga nuclei were produced through the ^71Ga(n, γ)^72Ga reaction. The Compton-suppressed spectrometer and high-purity Ge detectors have been used singly and in coincidence, separately, to study γ-rays in the β-decay of ^72Ga to ^72Ge. Ninety-three events of γ-rays were reported, of which 7 were observed for the first time. A decay scheme of ^72Ga including 4 new levels is proposed which accommodates 87 of these transitions. Spins and parities for new levels are proposed from calculated logft values, modes on the observed decay, and some nuclear reaction experimental results.     

Constructing the three-qudit unextendible product bases with strong nonlocality

Unextendible product bases (UPBs) are interesting members of a family of orthogonal product bases. Here, we investigate the construction of 3-qudit UPBs with strong nonlocality. First, a UPB set in ${{C}^{3}}\otimes {{C}^{3}}\otimes {{C}^{3}}$ of size 19 is presented based on the shift UPBs. By mapping the system to a Rubik's cube, we provide a general method of constructing UPBs in ${{C}^{d}}\otimes {{C}^{d}}\otimes {{C}^{d}}$ of size ${{\left(d-1 \right)}^{3}}+2d+5$, whose corresponding Rubik's cube is composed of four parts. Second, for the more general case where the dimensions of parties are different, we extend the classical tile structure to the 3-qudit system and propose the tri-tile structure. By means of this structure, a ${{C}^{4}}\otimes {{C}^{4}}\otimes {{C}^{5}}$ system of size 38 is obtained based on a ${{C}^{3}}\otimes {{C}^{3}}\otimes {{C}^{4}}$ system of size 19. Then, we generalize this approach to the ${{C}^{{{d}_{1}}}}\otimes {{C}^{{{d}_{2}}}}\otimes {{C}^{{{d}_{3}}}}$ system which also consists of four parts. Our research provides a positive answer to the open question raised in by Halder et al. [$Phys. Rev. Lett$. 122 040403 (2019)], indicating that there do exist UPBs that can exhibit strong quantum nonlocality without entanglement.     

Magnetocrystalline anisotropy and dynamic spin reorientation of half-doped Nd_(0.5)Pr_(0.5)FeO_3 single crystal

The single crystals of Nd_(0.5)Pr_(0.5)FeO_3 were successfully grown by optical floating zone method.Room temperature x-ray diffraction and Laue photograph declared the homogeneity and high quality of the crystal.The significant magnetic anisotropy and multiple magnetic transitions illustrate the complex magnetic structure.At high temperatures(T 66 K),it shows the typical characteristics of Γ_4(G_x,A_y,F_z) state.With the decrease of the temperature,it undergoes a first-order spin reorientation transition from Γ_4(G_x,A_y,F_z) to Γ_2(F_x,C_y,G_z) state in the temperature window of 45-66 K under an applied magnetic field of 0.01 T.As the temperature drops to ～17 K,a new magnetic interaction mechanism works,which results in a further enhancement of magnetization.The T-H phase diagram of Nd_(0.5)Pr_(0.5)FeO_3 single crystal was finally constructed.     

Dy2 AlFe13 Mn3 化合物的本征磁致伸缩

通过X-射线衍射及磁测量手段研究了Dy2AlFe13Mn3化合物的结构及磁性质。研究结果表明Dy2AlFe13Mn3化合物具有六角相的Th2Ni17型结构。通过X-射线热膨胀测定法发现Dy2AlFe13Mn3化合物在245到344K的温度范围内存在负热膨胀现象，其平均热膨胀系数为α＝-1.1×10-4K-1K-1。在105到360K的温度范围内，通过比较磁性状态下的晶胞参数和由高温顺磁状态外延得到的低温顺磁状态下的晶胞参数间的差别计算了Dy2AlFe13Mn3化合物的本征磁致伸缩。结果表明Dy2AlFe13Mn3化合物的本征体磁致伸缩ωS在105到245K的温度范围内随着温度的升高而增大，由105K时的7.0×10-3 增加到245K时的9.1×10-3。随着温度的进一步升高，ωS反而减小。沿c轴方向的本征线磁致伸缩λc随着温度的升高而减小。基面内的本征线磁致伸缩λa在105到270K的温度范围内随着温度的升高而增大，从105K时的0.8×10-3增大到270K时的3.4×10-3，然后随着温度的进一步升高而减小。     

Physical Properties of Group 14 in $P6_{2}$22 Phase: First-Principles Calculations *

Two new Group IV element allotropes Si$_{3}$ and Ge$_{3}$ in P6$_{2}$22 phase are predicted in this work and their physical properties are investigated using the density functional theory. Each of the newly predicted allotropes has a super dense structure, which is mechanically, dynamically, and thermodynamically stable, as verified by elastic constants, phonon dispersion spectra and relative enthalpies, respectively. The mechanical anisotropy propertiesare studied in detail by illustrating the directional dependence of Young's modulus, discussing the universal anisotropic index, and calculating shear anisotropy factors together with bulk moduli. It shows that P6$_{2}$22-Si$_{3}$ exhibits the greater anisotropy than P6$_{2}$22-Ge$_{3}$,and interestingly both of the newly predicted crystals appear to be isotropic in the (001) plane. Additionally, the Debye temperature, sound velocities, and the minimum thermal conductivity are examined to evaluate the thermodynamic properties of C$_{3}$, Si$_{3}$, and Ge$_{3}$ in P6$_{2}$22 phase, and the electronic band structures are achieved by HSE06 hybrid functional, which indicate that P6$_{2}$22-C$_{3}$ and -Si$_{3}$ are indirect band gap semiconductors and P6$_{2}$22-Ge$_{3}$ exhibits the metallic feature.     

A new transition metal diphosphide α-MoP2 synthesized by a high-temperature and high-pressure technique

Monoclinic $\alpha $-MoP$_{2}$, with the OsGe$_{2}$-type structure (space group $C2/m$, $Z = 4$) and lattice parameters $a = 8.7248(11) $ Å, $b = 3.2322(4) $ Å, $c = 7.4724(9) $ Å, and $\beta =119.263^\circ $, was synthesized under a pressure of 4 GPa at a temperature between 1100 ${^\circ}$C and 1200 ${^\circ}$C. The structure of $\alpha $-MoP$_{2}$ and its relationship to other transition metal diphosphides are discussed. Surprisingly, the ambient pressure phase orthorhombic $\beta $-MoP$_{2}$ (space group Cmc2$_{1}$) is denser in structure than $\alpha $-MoP$_{2}$. Room-temperature high-pressure x-ray diffraction studies exclude the possibility of phase transition from $\beta $-MoP$_{2}$ to $\alpha $-MoP$_{2}$, suggesting that $\alpha $-MoP$_{2}$ is a stable phase at ambient conditions; this is also supported by the total energy and phonon calculations.     

Effect of carbon nanotubes addition on thermoelectric properties of Ca3Co4O9 ceramics

Increasing the phonon scattering center by adding nanoparticles to thermoelectric materials is an effective method of regulating the thermal conductivity. In this study, a series of Ca$_{3}$Co$_{4}$O$_{9}/x$ wt.% CNTs ($x=0$, 3, 5, 7, 10) polycrystalline ceramic thermoelectric materials by adding carbon nanotubes (CNTs) were prepared with sol-gel method and cold-pressing sintering technology. The results of x-ray diffraction and field emission scanning electron microscopy show that the materials have a single-phase structure with high orientation and sheet like microstructure. The effect of adding carbon nanotubes to the thermoelectric properties of Ca$_{3}$Co$_{4}$O$_{9}$ was systematically measured. The test results of thermoelectric properties show that the addition of carbon nanotubes reduces the electrical conductivity and Seebeck coefficient of the material. Nevertheless, the thermal conductivity of the samples with carbon nanotubes addition is lower than that of the samples without carbon nanotubes. At 625 K, the thermal conductivity of Ca$_{3}$Co$_{4}$O$_{9}$/10 wt.% CNTs sample is reduced to 0.408 W$\cdot$m$^{-1}\cdot$K$^{-1}$, which is about 73% lower than that of the original sample. When the three parameters are coupled, the figure of merit of Ca$_{3}$Co$_{4}$O$_{9}$/3 wt.% CNTs sample reaches 0.052, which is 29% higher than that of the original sample. This shows that an appropriate amount of carbon nanotubes addition can reduce the thermal conductivity of Ca$_{3}$Co$_{4}$O$_{9}$ ceramic samples and improve their thermoelectric properties.     

Effect of Y3+ substitution on the structural,dielectric, and electrical properties of nanosized ZnAl 2 O 4 spinel

In the present work, we have studied the structural, dielectric, and electrical properties of a series of nanosized $\mathrm{ZnAl}_{2-2x}\mathrm{Y}_{2x}\mathrm{O}_{4}$ ( $x = 0.00$ , 0.01, 0.02, 0.03, 0.04, 0.05, 0.07, and 0.10) system prepared by chemical coprecipitation method. Powder X-ray diffraction (XRD) was carried out to study the influence of $\mathrm{Y}^{3+}$ substitution on the crystal structure of these samples. High Resolution Transmission Electron Microscopy (HRTEM) images reveal the nanocrystalline nature of the samples. The Fourier Transform Infrared (FTIR) spectra confirmed the preference of $\mathrm{Y}^{3+}$ ions at the octahedral B site. The variation of dielectric constant and loss tangent (1 kHz to 1 MHz) at room temperature for all the samples show the normal behavior of spinel compounds. AC conductivity study reveals that the conduction is due to small polaron hopping. The electrical modulus analysis shows that nanocrystalline $\mathrm{ZnAl}_{2-2x}\mathrm{Y}_{2x}\mathrm{O}_{4}$ system exhibits non-Debye-type relaxation. The DC electrical resistivity measured in the temperature range 303–373 K was found to increase with temperature and yttrium content.     

Singularities and accumulation of singularities of πN scattering amplitudes

It is demonstrated that for the isospin I = 1/2 πN scattering amplitude, T^I=1/2(s, t), $s={\left({m}_{N}^{2}-{m}_{\pi }^{2}\right)}^{2}/{m}_{N}^{2}$ and $s={m}_{N}^{2}+2{m}_{\pi }^{2}$ are two accumulation points of poles on the second sheet of complex s plane, and are hence accumulation of singularities of T^I=1/2(s, t). For T^I=3/2(s, t), $s={\left({m}_{N}^{2}-{m}_{\pi }^{2}\right)}^{2}/{m}_{N}^{2}$ is the accumulation point of poles on the second sheet of the complex s plane. The proof is valid up to all orders of chiral expansions.     

Improved performance of MoS2 FET by in situ NH3 doping in ALD Al2O3 dielectric

Since defects such as traps and oxygen vacancies exist in dielectrics, it is difficult to fabricate a high-performance MoS$_{2}$ field-effect transistor (FET) using atomic layer deposition (ALD) Al$_{2}$O$_{3}$ as the gate dielectric layer. In this paper, NH$_{3}$ in situ doping, a process treatment approach during ALD growth of Al$_{2}$O$_{3}$, is used to decrease these defects for better device characteristics. MoS$_{2}$ FET has been well fabricated with this technique and the effect of different NH$_{3}$ in situ doping sequences in the growth cycle has been investigated in detail. Compared with counterparts, those devices with NH$_{3}$ in situ doping demonstrate obvious performance enhancements: $I_{\rm on}/I_{\rm off}$ is improved by one order of magnitude, from $1.33\times 10^{5}$ to $3.56\times 10^{6}$, the threshold voltage shifts from $-0.74 $ V to $-0.12$ V and a small subthreshold swing of 105 mV/dec is achieved. The improved MoS$_{2}$ FET performance is attributed to nitrogen doping by the introduction of NH$_{3}$ during the Al$_{2}$O$_{3}$ ALD growth process, which leads to a reduction in the surface roughness of the dielectric layer and the repair of oxygen vacancies in the Al$_{2}$O$_{3}$ layer. Furthermore, the MoS$_{2}$ FET processed by in situ NH$_{3}$ doping after the Al and O precursor filling cycles demonstrates the best performance; this may be because the final NH$_{3}$ doping after film growth restores more oxygen vacancies to screen more charge scattering in the MoS$_{2}$ channel. The reported method provides a promising way to reduce charge scattering in carrier transport for high-performance MoS$_{2 }$ devices.     

Pure annihilation decays of B_s~0→a_0~+a_0~- and B_d~0→K_0~(*+)K_0~(*-) in the PQCD approach

We study the CP-averaged branching fractions and the CP-violating asymmetries in the pure annihilation decays ofB _s~0→a_0~+a _0~-andB _d~0→K_0~(*+)K_0~(*-),where a_0[K_0~*]denotes the scalar a_0(980) and a_0(1450)[K_0~*(800)(ork)and K_0~*(1430)],with the perturbative QCD factorization approach under the assumption of two-quark structure for the a_0and K_0~*states.The numerical results show that the branching ratios of theB _d~0→K_0~(*+)K_0~(*-)decays are in the order of 10~(-6),while the decay rates of theB_s~0→a_0~+a _0~-modes are in the order of 10~(-5).In light of the measured modes with the same quark components in the pseudoscalar sector,namely,B _d~0→K~+K~-and B_s~0→p p~(+-),the predictions for the considered decay modes in this work are expected to be measured at the Large Hadron Collider beauty and/or Belle-Ⅱ experiments in the (near) future.Meanwhile,it is of great interest to find that the twist-3 distribution amplitudes φ~S and φ~T with inclusion of the Gegenbauer polynomials for the scalar a_0(1450) and K_0~*(1430)states in scenario2 contribute slightly to the branching ratios while significantly to the CP violations in the B_d~0→K_0~*(14 30)~+K_0*(14 30)~-and B_s~0→a_0(1450)~+a_0(1450)~-decays,which indicates that,compared to the asymptotic φ~Sand φ~T,these Gegenbauer polynomials could change the strong phases evidently in these pure annihilation decay channels.These predictions await for the future confirmation experimentally,which could further provide useful information to help explore the inner structure of the scalars and shed light on the annihilation decay mechanism.     

Preparation and luminescence characteristics of Eu^2＋ activated silicate phosphor

This paper synthesizes the Sr2SiO4：Eu^2＋ phosphor by high temperature solid-state reaction. The emission spectrum of Sr2SiO4 ： Eu^2＋ shows two bands centred at 480 and 547 nm, which agree well with the calculation values of emission spectrum, and the location of yellow emission of Sr2SiO4 ： Eu^2＋ is influenced by the Eu^2＋ concentration. The excitation spectrum for 547 nm emission has two bands at 363 and 402 nm. The emission spectrum of white light emitting diodes （w-LEDs） based on Sr2SiO4 ： Eu^2＋ phosphor ＋ InGaN LED was investigated.     

Theoretical study of M6X2 and M6XX' structure (M = Au,Ag; X,X' = S,Se): Electronic and optical properties,ability of photocatalytic water splitting,and tunable properties under biaxial strain

MoS$_{2}$, a transition metal dichalcogenide (TMDC), has attracted significant amount of attention due to its direct bandgap, tunability and optical properties. Recently, a novel structure consisting of MoS$_{2}$ and noble metal nanoclusters has been reported. Inspired by this, first principle calculations are implemented to predict the structures of $M_{6}X_{2}$ and $M_{6}XX'$ ($M= {\rm Au}$, Ag; $X$, $X' ={\rm S}$, Se). The calculated bandgap, band edge position, and optical absorption of these structures prove that the silver compounds (Ag$_{6}X_{2 }$ and Ag$_{6}XX'$) have great potential for catalytic water splitting. In addition, biaxial strain (tensile strain and compressive strain) is applied to adjust the properties of these materials. The bandgap presents a quasi-linear trend with the increase of the applied strain. Moreover, the transition between the direct and indirect bandgap is found. The outstanding electronic and optical properties of these materials provide strong evidence for their application in microelectronic devices, photoelectric devices, and photocatalytic materials.     

Incommensurate-commensurate magnetic phase transition in double tungstate Li2Co(WO4)2

Magnetic susceptibility, specific heat, and neutron powder diffraction measurements have been performed on polycrystalline Li$_{2}$Co(WO$_{4}$)$_{2}$ samples. Under zero magnetic field, two successive magnetic transitions at $T_{\rm N1}\sim 9.4$ K and $T_{\rm N2}\sim 7.4$ K are observed. The magnetic ordering temperatures gradually decrease as the magnetic field increases. Neutron diffraction reveals that Li$_{2}$Co(WO$_{4}$)$_{2}$ enters an incommensurate magnetic state with a temperature dependent $\bm k$ between $T_{\rm N1}$ and $T_{\rm N2}$. The magnetic propagation vector locks-in to a commensurate value $\bm k = (1/2, 1/4, 1/4)$ below $T_{\rm N2}$. The antiferromagnetic structure is refined at 1.7 K with Co$^{2+}$ magnetic moment 2.8(1) $\mu_{\rm B}$, consistent with our first-principles calculations.     

The effects of interstitial oxygen on superconducting electronic phases in strontium and oxygen co-doped La1.937Sr0.063CuO4＋δ

Strontium and oxygen co-doped La1.937Sr0.063CuO4＋δ superconductor with Tc≈ 40K, which is obtained by oxidizing strontium-doped starting ceramic sample La1.937Sr0.063CuO4 in NaC10 solution, is annealed under different conditions to allow interstitial oxygen to redistribute. The evolution of the intrinsic superconducting property with the oxygen redistribution is studied in detail by magnetic measurements in various fields. It is found that there occurs the electronic phase separation from the single superconducting phase with Tc ≈ 40 K into two coexisting superconducting states with values of Tc： 15 and 40K or of 15 and 35 K in this system, depending on annealing condition. Our results indicate that the 15, 35 and 40 K superconducting phases associated with the excess oxygen redistribution are all thermodynamically meta-stable intrinsic states in this Sr/O co-doped cuprate.     

Valley-resolved transport in zigzag graphene nanoribbon junctions

Applying the transfer matrix and Green's function methods, we study the valley-resolved transport properties of zigzag graphene nanoribbon (ZGNR) junctions. The width of the left and right ZGNRs are N_L and N_R, and N_L ≥ N_R. The step/dip positions of the conductance G, the intravalley transmission coefficients (T_KK and ${T}_{{K}^{{\prime} }{K}^{{\prime} }}$), and the valley polarization efficiency ${P}_{{{KK}}^{{\prime} }}$ correspond to the subband edges of the right/left ZGNR that are controlled by N_R/N_L. The intervalley transmission coefficients (${T}_{{{KK}}^{{\prime} }}$ and ${T}_{{K}^{{\prime} }K}$) exhibit peaks at most of the subband edge of the left and right ZGNRs. In the bulk gap of the right ZGNR, ${T}_{{{KK}}^{{\prime} }}$ $={T}_{{K}^{{\prime} }K}$=0, and ${P}_{{{KK}}^{{\prime} }}$ = ±1, the valley polarization is well preserved. As N_R increases, the energy region for ${P}_{{{KK}}^{{\prime} }}$ = ±1 decreases. When N_L is fixed and N_R decreases, G, T_KK, ${T}_{{K}^{{\prime} }{K}^{{\prime} }}$ and ${P}_{{{KK}}^{{\prime} }}$ exhibit more and more dips, and the peaks of ${T}_{{{KK}}^{{\prime} }}$ (${T}_{{K}^{{\prime} }K}$) become more and more high, especially when (N_L − N_R)/2 is odd. These characters are quite useful for manipulating the valley dependent transport properties of carriers in ZGNR junctions by modulating N_L or N_R, and our results are helpful to the design of valleytronics based on ZGNR junctions.     

Line intensities of the asymptotic asymmetric-top radical HO2 at high temperatures

The total internal partition sums were calculated in the product approximation at temperatures up to 5000\,K for the asymptotic asymmetric-top HO$_{2}$ molecule. The calculations of the rotational partition function and the vibrational partition function were carried out with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the data of HITRAN database with $-$0.14{\%} at 296\,K. Using the calculated partition functions, we have calculated the line intensities of $\nu _{2}$ band of HO$_{2}$ at several high temperatures. The results showed that the calculated line intensities are in very good agreement with those of HITRAN database at temperatures up to 3000\,K, which provides a strong support for the calculations of partition functions and line intensities at high temperatures. Then we have extended the calculation to higher temperatures. The simulated spectra of $\nu_{2}$ band of the asymptotic asymmetric-top HO$_{2}$ molecule at 4000 and 5000\,K are also obtained.