CRYSTALLINE CARBON NITRIDE THIN FILMS DEPOSITED BY MICROWAVE PLASMA CHEMICAL VAPOR DEPOSITION

The crystalline carbon nitride thin films have been prepared on Si (100) substrates using microwave plasma chemical vapor deposition technique. The experimental X-ray diffraction pattern of the films prepared contain all the strong peaks of α-C₃N₄ and β-C₃N₄, but most of the peaks are overlapped.The films are composed of α-C₃N₄ and β-C₃N₄. The N/C atomic ratio is close to the stoichiometric value 1.33. X-ray photoelectron spectroscopic analysis indicated that the binding energies of C 1s and N 1s are 286.43eV and 399.08 eV respectively. The shifts are attributed to the polarization of C-N bond. Both observed Raman and Fourier transform infrared spectra were compared with the theoretical calculations. The results support the existence of C-N covalent bond in α- and β-C₃N₄ mixture.     

First-Principles Study of Hole-Doped Superconductors RNiO2（R=Nd,La, and Pr）

Recent experiments have found that in contrast to the nonsuperconducting bulk RNiO₂（R=Nd,La,and Pr）,the strontium-doped R_1-xSr_xNiO₂ thin films show superconductivity with the critical temperature T_c of 9–15 K at x=0.2,whose origin of superconductivity deserves further investigation.Based on first-principles calculations,we study the electronic structure,lattice dynamics,and electron–phonon coupling （EPC） of the undoped and doped RNiO₂     

Two-Dimensional Electron Gas with High Mobility Forming at BaO/SrTiO3 Interface

Two-dimensional electron gas （2DEG） with high electron mobility is highly desired to study the emergent properties and to enhance future device performance.Here we report the formation of 2DEG with high mobility at the interface between rock-salt Ba O and perovskite Sr Ti O₃.The interface consists of the ionically compensated Ba O_1-δlayer and the electronically compensated Ti O₂ layer,which is demonstrated as a perfect interface without lattice mismatch.The so-fo...     

QCD Axial Anomaly Enhances the ηη' Decay of the Hybrid Candidate η1（1855）

We study the hybrid mesons with the exotic quantum number I^GJ^PG=0⁺1^-+ and investigate their decays into the ηη’,a₁（1260）π,f₁（1285）η,f₁（1420）η,K^*（892）■,K₁（1270）■,and K₁（1400）■channels.It is found that the QCD axial anomaly enhances the decay width of the ηη’ channel although this mode is strongly suppressed by the small p-wave phase space.Our results support the interpretation of the η     

Nonparaxial propagation of a super-Lorentz－Gauss SLG01 mode beam

Based on the vectorial Rayleigh--Sommerfeld integral formulae, this paper derives the analytical nonparaxial propagation equation of a super-Lorentz--Gauss (SLG) SLG₀₁ mode beam in free space. The far field expression and the scalar paraxial result are treated with special cases of the general formulae. According to the obtained analytical representation, the nonparaxial propagation properties of the SLG₀₁ mode beam are illustrated and analysed with numerical examples. This research provides an approach to investigate the propagation of the SLG₀₁ mode beam within the framework of the nonparaxial regime.     

PRECISE MEASUREMENT OF DENSITY-DEPENDENT SHIFT BY WAVELENGTH MODULATION REFLECTION SPECTROSCOPY

The density dependence of the line shift of the cesium D₂ line is studied with sub-Doppler selective reflection spectroscopy. By use of wavelength modulation and sixth-harmonics detection we observed the coefficient of the pressure-induced shift of the 6S_1/2(F=4)→6P_3/2(F'=3) hyperfine transition of the cesium D₂ line Δδ/ρ=-0.9(5)×10^-8cm³. In the limit ρ=0 a frequency shift about -3MHz remains, which may be attributed to long-range atom－surface interactions. The experimental results can be used in measurements of the local field-induced frequency shift at high atomic densities with sufficient accuracy.     

Enhanced mobility of MoS2 field-effect transistors by combining defect passivation with dielectric-screening effect

A facile method of combining the defect engineering with the dielectric-screening effect is proposed to improve the electrical performance of MoS₂ transistors. It is found that the carrier mobility of the transistor after the sulfur treatment on the MoS₂ channel is greatly enhanced due to the reduction of the sulfur vacancies during vulcanization of MoS₂.Furthermore, as compared to those transistors with HfO2 and SiO2 as the gate dielectric, the Al2O3-gate dielectric MoS₂ FET shows a better electrical performance after the sulfur treatment, with a lowered subthreshold swing of 179.4 m V/dec,an increased on/off ratio of 2.11 × 10⁶, and an enhanced carrier mobility of 64.74 cm²/V·s(about twice increase relative to the non-treated MoS₂ transistor with SiO2 as the gate dielectric). These are mainly attributed to the fact that a suitable k-value gate dielectric can produce a dominant dielectric-screening effect overwhelming the phonon scattering, increasing the carrier mobility, while a larger k-value gate dielectric will enhance the phonon scattering to counteract the dielectricscreening effect, reducing the carrier mobility.     

Analysis of B → a1（1260）（b1（1235））K decays in the perturbative QCD approach

Within the framework of the perturbative quantum chromodynamics（PQCD） approach, we study the charmless two-body decays B → a₁（1260）K*, b₁（1235）K*. Using the decay constants and the light-cone distribution amplitudes for these mesons derived from the QCD sum rule method, we find the following results.（a） Our predictions for the branching ratios are consistent with the QCD factorization（QCDF） results within errors, but much larger than the naive factorization approach calculation values.（b） We predict that the anomalous polarizations occurring in the decays B→φK*, ρK*also happen in B→a₁ K*decays, while they do not happen in B→b₁ K*decays. Here the contributions from the annihilation diagrams play an important role in explaining the larger transverse polarizations in the B→a₁ K*decays, while they are not sensitive to the polarizations for the B→b₁ K*decays.（c） Our predictions for the direct C P-asymmetries agree well with the QCDF results within errors. The decaysˉB⁰→b₁₊K*-, B-→b₁⁰K*-have larger direct C P-asymmetries, which could be measured by the present LHCb experiment and the forthcoming Super-B experiment.     

Effects of dipolar interactions on the magnetic hyperthermia of Zn0.3Fe2.7O4 nanoparticles with different sizes

Tumor-targeted magnetic hyperthermia has recently attracted much attention.Magnetic nanoparticles(NPs) are heat mediator nanoprobes in magnetic hyperthermia for cancer treatment.In this paper,single cubic spinel structural Zn_0.3Fe_2.7O₄ magnetic NPs with sizes of 14 nm-20 nm were synthesized,followed by coating with SiO₂ shell.The SLP value of Zn_0.3Fe_2.7O₄/SiO₂ NPs below 20 nm changes non-monotonically with the concentration of solution under the alternating current(AC) magnetic field of 430 kHz and 27 kA/m.SLP values of all Zn_0.3Fe_2.7O₄/SiO₂ NPs appear a peak value with change of solution concentration.The solution concentrations with optimal SLP value decrease with increasing magnetic core size.This work can give guidance to the better prediction and control of the magnetic hyperthermia performance of materials in clinical applications.     

Spectroscopic parameters and molecular constants of HI(X~1Σ~+),DI(X~1Σ~+) and TI(X~1Σ~+) isotope molecules

The potential energy curve (PEC) of HI(X¹Σ⁺) molecule is studied using the complete active space self-consistent field method followed by the highly accurate valence internally contracted multireference configuration interaction approach at the correlation-consistent basis sets, aug-cc-pV6Z for H and aug-cc-pV5Z-pp for I atom. Using the PEC of HI(X¹Σ⁺), the spectroscopic parameters of three isotopes, HI(X¹Σ⁺), DI(X¹Σ⁺) and TI(X¹Σ⁺), are determined in the present work. For the HI(X¹Σ⁺), the values of D₀, D_e, R_e, ω_e, ω_eχ_e, α_e and B_e are 3.1551 eV, 3.2958 eV, 0.16183 nm, 2290.60 cm^-1, 40.0703 cm^-1, 0.1699 cm^-1 and 6.4373 cm^-1, respectively; for the DI (X¹Σ⁺), the values of D₀, D_e, R_e, ω_e, ω_eχ_e, α_e and B_e are 3.1965 eV, 3.2967 eV, 0.16183 nm, 1626.8 cm^-1, 20.8581 cm^-1, 0.0611 cm^-1 and 3.2468 cm^-1, respectively; for the TI (X¹Σ⁺), the values of D₀, D_e, R_e, ω_e, ω_eχ_e, α_e and B_e are of 3.2144 eV, 3.2967 eV, 0.16183 nm, 1334.43 cm^-1, 14.0765 cm^-1, 0.0338 cm^-1 and 2.1850 cm^-1, respectively. These results accord well with the available experimental results. With the PEC of HI(X¹Σ⁺) molecule obtained at present, a total of 19 vibrational states are predicted for the HI, 26 for the DI, and 32 for the TI, when the rotational quantum number J is equal to zero (J = 0). For each vibrational state, vibrational level G(?), inertial rotation constant B_? and centrifugal distortion constant D_? are determined when J = 0 for the first time, which are in excellent agreement with the experimental results.     

快重离子辐照对MoS2热导率的影响研究

利用0.97 GeV的209Bi离子辐照二硫化钼（MoS₂）晶体,辐照注量范围为1×1010～1×1012 ions/cm2,结合原子力显微镜（AFM）观测和Raman光谱分析研究了快重离子辐照对MoS₂热导率的影响。实验结果显示,快重离子辐照在MoS₂中产生了潜径迹,较高激光功率下的Raman测试使样品局部温度升高,导致E_1/2g和A_1g峰随注量增加向低波数方向移动,且峰形展宽。引入了通过改变激光功率测量Raman光谱得到MoS₂热导率的计算方法,获得了不同辐照注量下MoS₂的热导率的定量分析结果,随注量增加,热导率不断降低,从未辐照样品的563 W/mK下降到1×1012 ions/cm2辐照时的132 W/mK。Molybdenum disulphide (MoS₂) was irradiated by 0.97 GeV 209Bi ions with the fluence of 1×1010 to 1×1012 ions/cm2. The irradiation effect on the thermal conductivity of MoS₂ was analyzed by atomic force microscope (AFM) and Raman spectroscopy. The experimental results show that hillock-like latent tracks are observed on irradiated MoS₂ by AFM. The measurement of MoS₂ by Raman spectrometer with high laser power results in the increase of local temperature of MoS₂, which cause the downshift of peaks position and broadening of E_1/2g and A_1g peak. Furthermore, according to Raman spectra measured at different laser power, thermal conductivity of MoS₂ before and after irradiation was calculated, which show that the thermal conductivity of MoS₂ decreases with increasing fluence, from 563 to 132 W/mK for pristine and 1×1012 ions/cm2 irradiated MoS₂, respectively.     

Prediction of Superhard BN2 with High Energy Density

Considering that pressure-induced formation of short,strong covalent bonds in light-element compounds can produce superhard materials,we employ structure searching and first-principles calculations to predict a new class of boron nitrides with a stoichiometry of BN₂,which are stable relative to alpha-B and alpha-N₂ at ambient pressure.At ambient pressure,the most stable phase has a layered structure(h-BN₂) containing hexagonal BN layers between which there are intercalated N₂ molecules.At 25 GPa,a three-dimensional P4₂/mmc structure with single N-N bonds becomes the most stable.Dynamical,thermal,and mechanical stability calculations reveal that this structure can be recovered under ambient conditions.Its calculated stress-strain relations demonstrate an intrinsic superhard nature with an estimated Vickers hardness of ~43 GPa.This structure has a potentially high energy density of ~4.19 kJ/g.     

RAMAN STUDIES ON THE PHASE TRANSITIONS OF (NH4)2SnBr6 CRYSTALS

We report here the structural phase transitions of the crystal (NH₄)₂SnBr₆ investigated by Raman scattering at temperatures ranging from 10K to room temperature. Two phase transitions occurring at 150 and ll0K are found. Based on the group theory, it is proposed that the crystal undergoes a second-order phase transition at 150 K, resulting from a ferro-distortion with symmetry Γ⁴⁺. The change of structure is confirmed to be O⁵_h to C⁵_4h, which is assigned to the rotary of [SnBr₆]^2- ion groups around the axis of <001>. Furthermore the crystal undergoes an order-disorder phase transition at ll0K which is related with the reorientation of the ammonium ion group. It is noticed that the change of the vibrational modes at 77K does not show any phase transition.     

Flat Band and Z2 Topology of Kagome Metal CsTi3Bi5

The simple kagome-lattice band structure possesses Dirac cones, flat band, and saddle point with van Hove singularities in the electronic density of states, facilitating the emergence of various electronic orders. Here we report a titanium-based kagome metal CsTi₃Bi₅ where titanium atoms form a kagome network, resembling its isostructural compound CsV₃Sb₅. Thermodynamic properties including the magnetization, resistance, and heat capacity reveal the co...     

Single crystal growth and characterizations of iron arsenide superconductor BaFe2-xNixAs2（0.0≤x≤0.12）

A series of big single crystals of BaFeFe_2-xNi_xAs₂ have been prepared by the FeAs self-flux method, with nominal nickel doping x = 0--0.12. The dimensions of the cleaved crystals are over 10~mm along ab plane and ～ 2~mm in maximum along the c direction. The measurements of x-ray diffraction, electrical resistance and magnetic property are carried out on the crystals. For the undoped parent compound BaFe₂As₂, both resistance and magnetization data display an anomaly associated with spin density wave and/or structural phase transition, with the transition temperatures at ～ 138~K. For Ni-doped BaFe_2-xNi_xAs₂ crystals, the superconducting critical temperature T_c ranges from 4.3~K for x=0.06 sample to 20~K for the optimally doped x=0.10 crystal.     

Electronic Instability of Kagome Metal CsV3Sb5 in the 2×2×2 Charge Density Wave State

Recently discovered kagome metals AV₃Sb₅(A = K,Rb,and Cs) provide an ideal platform to study the correlation among nontrivial band topology,unconventional charge density wave(CDW),and superconductivity.The evolution of electronic structures associated with the change of lattice modulations is crucial for understanding of the CDW mechanism,with the combination of angle-resolved photoemission spectroscopy(ARPES)measurements and density functional theory calculations,we invest...     

Influence of an inserted bar on the flow regimes in the hopper

We investigated the influence of an inserted bar on the hopper flow experimentally.Three geometrical parameters,size of upper outlet D1,size of lower outlet D0,and the height of bar H,are variables here.With varying H we found three regimes:one transition from clogging to a surface flow and another transition from a surface flow to a dense flow.For the dense flow,the flow rate follows Beverloo’s law and there is a saturation of inclination of free surfaceθ.We plotted the velocity field and there is a uniform linear relation between the particle velocity and depth from the free surface.We also found that the required value of D₁ to guarantee the connectivity of flow is little smaller than D₀.For the transition from a surface flow to a dense flow,there is a jump of flow rate and the minimumθfor flowing is two degrees larger than the repose angle.     

First-principles calculations on the elastic and thermodynamic properties of NbN

<正>The elastic and thermodynamic properties of NbN at high pressures and high temperatures are investigated by the plane-wave pseudopotential density functional theory（DFT）.The generalized gradient approximation（GGA） with the Perdew-Burke-Ernzerhof（PBE） method is used to describe the exchange-correlation energy in the present work.The calculated equilibrium lattice constant a₀,bulk modulus B₀,and the pressure derivative of bulk modulus B₀’ of NbN with rocksalt structure are in good agreement with numerous experimental and theoretical data.The elastic properties over a range of pressures from 0 to 80.4 GPa are obtained.Isotropic wave velocities and anisotropic elasticity of NbN are studied in detail.It is indicated that NbN is highly anisotropic in both longitudinal and shear-wave velocities. According to the quasi-harmonic Debye model,in which the phononic effect is considered,the relations of（V-V₀）/V₀ to the temperature and the pressure,and the relations of the heat capacity C_V and the thermal expansion coefficientαto temperature are discussed in a pressure range from 0 to 80.4 GPa and a temperature range from 0 to 2500 K.At low temperature,C_V is proportional to T³ and tends to the Dulong-Petit limit at higher temperature.We predict that the thermal expansion coefficientαof NbN is about 4.20×10^-6/K at 300 K and 0 GPa.     

Temperature tuning of BaGa4Se7 optical parametric oscillator

The temperature tuning of BaGa₄Se₇(BGSe)was demonstrated for the first time,to the best of our knowledge.When the temperature of BGSe(56.3°,0°)was raised from 30℃ to 140℃,the idler light under type Ⅰ raised from 3637 nm to 3989 nm,the tunable range reached 352 nm,and Δλ₂=ΔT reached 3.20 nm/℃.We calculated the phase matching curve of BGSe when Φ and T took different values.The relationship between θ and Δλ₂=ΔT was obtained by fixing Φ at 0°.The maximum Δλ₂=ΔT and its corresponding(θ,Φ)phase matching type were reported under different fixed λ₂(3μm,3.2μm,...,5μm).     

CVD法单层MoS2在209Bi离子辐照下的损伤效应研究

通过光学显微镜、拉曼光谱确定了CVD（化学气相沉积法）制备的不同厚度MoS₂的层数,采用拉曼分析结合原子力显微镜观测分析了由HIRFL提供的高能209Bi离子辐照CVD制备的单层MoS₂样品随辐照注量的损伤规律。随辐照注量增加,E_2g1和A_1g两种声子振动模式对应的拉曼峰逐渐蓝移,且拉曼特征峰强度减弱,这是由于带正电荷的209Bi辐照产生潜径迹型晶格缺陷吸附空气中氧分子而引入p型掺杂引起的。同时,在辐照注量为5×1010 ions/cm2的单层MoS₂的AFM图像中观察到潜径迹主要以凹坑形式出现,与机械剥离法观测到的凸起径迹明显不同,分析了不同制备工艺对径迹形貌的影响。比较了机械剥离法制备MoS₂样品的拉曼光谱和AFM成像的实验数据和结果,认为不同制备方法会影响单层或少层MoS₂的电子密度。The layer number of MoS₂ with different thickness was determined by the optical microscope and Raman spectra. And the damage effect of the CVD (chemical vapor deposition) prepared single-layer MoS₂ sample irradiated by 209Bi ions was analyzed by the combination of Raman analysis and AFM observations. With the increase of irradiation fluence, the Raman characteristic peaks of E_2g1 and A_1g corresponding to both phonon vibration modes gradually bluely shift, and the intensity of the peaks obviously decreased. This is due to the fact that the 209Bi ion irradiation results in the latent track type lattice defects and they adsorb the oxygen molecules in the air ended with the p-type doping. Meanwhile, from the AFM image of the mono-layer of irradiated MoS₂ under the 5×1010 ions/cm2, it can been seen that latent tracks mainly occur in the form of pits, which different from the hillock tracks observed by mechanical stripping method. The influence of different preparation technology to the track morphology is analyzed. Compared with the Raman and AFM results of MoS₂ prepared by mechanical stripping, it is considered that different preparation methods will affect the electron density in single or few layers of MoS₂.