Potential energy curves and spectroscopic properties of X2∑ and A2П states of 13C14N

The potential energy curves(PECs) of X2+Σand A2Π states of the CN molecule have been calculated with the multireference configuration interaction method and the aug-cc-pwCV5Z basis set. Based on the PECs, all of the vibrational and rotational levels of the13C14N molecule are obtained by solving the Schro¨dinger equation of the molecular nuclear motion.The spectroscopic parameters are determined by fitting the Dunham coefficients with the levels. Both the levels and the spectroscopic parameters are in good qualitative agreement with the experimental data available. The analytical potential energy functions are also deduced from the calculated PECs. The present results can provide a helpful reference for future spectroscopy experiments or dynamical calculations of the molecule.     

Preparation and modification of VO_2 thin film on R-sapphire substrate by rapid thermal process

The VO2 thin film with high performance of metal-insulator transition （MIT） is prepared on R-sapphire substrate for the first time by magnetron sputtering with rapid thermal process （RTP）. The electrical characteristic and THz transmittance of MIT in VO2 film are studied by four-point probe method and THz time domain spectrum （THz-TDS）. X-ray diffraction （XRD）, X-ray photoelectron spectroscopy （XPS）, atomic force microscopy （AFM）, and search engine marketing （SEM） are employed to analyze the crystalline structure, valence state, surface morphology of the film. Results indicate that the properties of VO2 film which is oxidized from the metal vanadium film in oxygen atmosphere are improved with a follow- up RTP modification in nitrogen atmosphere. The crystallization and components of VO2 film are improved and the film becomes compact and uniform. A better phase transition performance is shown that the resistance changes nearly 3 orders of magnitude with a 2-~C hysteresis width and the THz transmittances are reduced by 64% and 60% in thermal and optical excitation respectively.     

Theoretical study of the structure and analytic potential energy function for the ground state of the PO2 molecule

In this paper, the energy, equilibrium geometry, and harmonic frequency of the ground electronic state of PO2 are computed using the B3LYP, B3P86, CCSD（T）, and QCISD（T） methods in conjunction with the 6-311＋＋G（3df, 3pd） and cc-pVTZ basis sets. A comparison between the computational results and the experimental values indicates that the B3P86/6-311＋＋G（3df, 3pd） method can give better energy calculation results for the PO2 molecule. It is shown that the ground state of the PO2 molecule has C2v symmetry and its ground electronic state is X2A1. The equilibrium parameters of the structure are Rp-o = 0.1465 am, ZOPO = 134.96°, and the dissociation energy is Ed = 19.218 eV. The bent vibrational frequency Ul = 386 cm-1, symmetric stretching frequency v2 = 1095 cm-1, and asymmetric stretching frequency ua = 1333 em-1 are obtained. On the basis of atomic and molecular reaction statics, a reasonable dissociation limit for the ground state of the PO2 molecule is determined. Then the analytic potential energy function of the PO2 molecule is derived using many-body expansion theory. The potential curves correctly reproduce the configurations and the dissociation energy for the PO2 molecule.     

Experiment of constraining symmetry energy at supra-saturation density with π^-/π^＋ at HIRFL-CSR

The possibility of the experiment for constraining the symmetry energy Esym（ρ） at supra-densities via π^-/π^＋ probe on the external target experiment of phase I （ ETE（I） ） with part coverage at forward angle at HIRFL-CSR is studied for the first time by using the isospin and momentum dependent hadronic transport model IBUU04. Based on the transport simulation with Au＋Au collisions at 400 MeV/u, it is found that the differential π^-/π^＋ ratios are more sensitive to Esym（ρ） at forward angles in laboratory reference, compared with the total yield ratio widely proposed. The insufficient coverage at lower transverse momentum maintains the sensitivity of the dependence of π^-/π^＋ ratio on the Esym（ρ） at high density, indicating that the ETF （I） under construction in Lanzhou provides the possibility of performing the experiment for probing the asymmetric nuclear equation of state.     

N2HF体系的结构与势能函数

用QCISD/6-311++G方法对N2HF体系进行优化得到其基态的平衡几何结构,属于C∞v构型,(1∑)态.计算表明N2HF分子是一特殊的van der Waals分子.应用多体项展式方法,导出了N2HF分子的解析势能函数,该函数正确的复现了N2HF体系的平衡结构及能量变化.势能面的静态特征表明:N2+HF→N2-HF反应是一个有阈能的反应,即是需活化能的反应,反应过程需克服144.21 kJ/mol的势垒.然后,就N2HF→N2+HF反应机理进行了讨论.     

Beam transport design for a 1 MeV prototype dielectric wall accelerator

The beam transport design of a novel proton dielectric wall accelerator is introduced in this paper. The protons will be accelerated from 40 keV to nearly 1 MeV under an accelerating gradient that is as high as 20 MV/m. A consideration of the beam line as well as the transport simulation is presented. The influences of the injection timing jitter and the accelerating pulse timing jitter are also discussed.     

Further investigations of the low-lying electronic states of AsO~+ radical

The high level quantum chemistry ab inito multi-reference configuration interaction （MRCI） method with large V5Z basis set is used to calculate the spectroscopic properties of the 15 A-S electronic states （X1∑＋, A I П, 1 △, 1 ∑, 3∑＋, 3П, 3△, 3△ , 5∑＋, 5П, 5△, 1П （II）, ofAsO＋ radical correlated to the dissociation limit As＋（3pg） ＋ O（3pg） and As＋（IDg） ＋ O（1Dg）. In order to obtain better potential curves and more accurate spectroscopic properties, the Davidson modification is taken into account. With the potential energy curves （PECs） determined here, vibrational levels G（v） and inertial rotation constants Bu are computed for all the bound electronic states when the rotational quantum number J equals zero （J = 0）. Except for the states X1∑＋, A1П , it is the first time that the multi-reference configuration calculation has been used on the 13 A-S electronic states of the AsO＋ radical. The potential energy curves of all the A-S electronic states are depicted according to the avoided crossing rule of the same symmetry. Spin-orbit coupling effect （SOC） is introduced into the states X1 ∑＋, A1 П, 3П to consider its effects on the spectroscopic properties. Transition dipole moments （TDMs） from A1П 1, 3 П1 states to the ground state X1∑0＋ are predicted as well.     

Nuclear structure around 80Zr

Recent years have witnessed intense activity concerning the study of nuclei with equal numbers of neutrons and protons （N = Z）. Exotic properties have been exhibited in the N = Z nuclei, especially in those with atomic masses around 80. In the present paper, the projected shell model（PSM）together with a relativistic Hartree-Bogoliubov （RHB） theory is used to study the nuclear structure near the N = Z line in the mass A ≈ 80 region. For three Zr isotopes 80,82,84Zr, the projected potential energy surfaces and ground state bands are calculated. It is shown that shape coexistence occurs in all of these nuclei. Moreover, we find that the residual neutron-proton interaction strongly affects the ground state band of 80Zr; however, it slightly modifies those of 82Zr and 84Zr.     

Experimental studies of THGEM in different Ar/CO2 mixtures

In this paper, the performance of a type of domestic THGEM （THick Gaseous Electron Multiplier） working in Ar/CO2 mixtures is reported in detail. This kind of single THGEM can provide a gain range from 100 to 1000, which is very suitable for application in neutron detection. In order to study its basic characteristics as a reference for the development of a THGEM based neutron detector, the counting rate plateau, the energy resolution and the gain of the THGEM have been measured in different Ar/CO2 mixtures with a variety of electrical fields. For the Ar/CO2（90%/10%） gas mixture, a wide counting rate plateau is achieved from 720 V to 770 V, with a plateau slope of 2.4%/100 V, and an excellent energy resolution of about 22% is obtained at the 5.9 keV full energy peak of the 55Fe X-ray source.     

In situ electrical resistance and activation energy of solid C6o under high pressure

The in situ electrical resistance and transport activation energies of solid C60 fullerene have been measured under high pressure up to 25 GPa in the temperature range of 300-423 K by using a designed diamond anvil cell. In the experiment, four parts of boron-doped diamond films fabricated on one anvil were used as electrical measurement probes and a W-Ta thin film thermocouple which was integrated on the other diamond anvil was used to measure the temperature. The current results indicate that the measured high-pressure resistances are bigger than those reported before at the same pressure and there is no pressure-independent resistance increase before 8 GPa. From the temperature dependence of the resistivity, the C60 behaviors as a semiconductor and the activation energies of the cubic C60 fullerene are 0,49, 0.43, and 0.36 eV at 13, 15, and 19 GPa, respectively.     

Behaviour of the current in a two-dimensional Buttiker-Landauer motor with entropic barriers

The behaviour of the current in a two-dimensional Biittiker-Landauer motor, which is a position-dependent temperature-driven Brownian motor, is investigated in the presence of entropic and energy barriers. It is found that the motion of the Brownian particles is influenced by the shape of the channel. The existence of an entropic barrier can cause an asymmetric current as the flatness ratio of the shape varies. There exists an optimized flatness ratio （nonzero） at which the current reaches its maximum value.     

Size Effect of a Negatively Charged Exciton in a Two-Dimensional Quantum Dot

In this paper we study a negatively charged exciton （NCE）, which is trapped by a two-dimensional （2D） parabolic potential. By using matrix diagonalization techniques, the correlation energies of the low-lying states with L=0, 1, and 2 are calculated as a function of confinement strength. We find that the size effects of different states are different. This phenomenon can be explained as a hidden symmetry, which is originated purely from symmetry. Based on symmetry, the features of the low-lying states are discussed in the influence of the 2D parabolic potential well. It is found that the confinement may cause accidental degeneracies between levels with different low-excited states. It is shown that the effect of quantum confinement on the binding energy of the heavy hole is stronger than that of a light hole.     

Precipitation efficiency and its relationship to physical factors

The precipitation efficiency and its relationship to physical factors are examined by analyzing a two-dimensional cloud-resolving model simulation during TOGA COARE in this study. The basic physical factors include convective avail- able potential energy, water-vapor convergence, vertical wind shear, cloud ratio, sea surface temperature, air temperature, and precipitable water. Precipitation efficiencies do not show a close relationship to air temperature nor to sea surface tem- perature nor to precipitable water. The precipitation efficiency increases as the water-vapor convergence rate increases and vertical wind shear weakens, whereas it decreases as the convective available potential energy dissipates and anvil clouds develop.     

B~3Σ_u~- X~3Σ_g~- transition in selenium dimer:ab initio multireference configuration interaction calculations

Theoretical investigation of low-lying electronic states and B 3Σu-X3Σg- transition properties of selenium dimer using size-extensivity singly and doubly excitation multireference configuration interaction theory with nonrelativistic all-electron basis set and relativistic effective core potential plus its split valence basis set is presented in this paper. The spectroscopic constants of ten low-lying Λ-S bound states have been obtained and compared with experiments. Spin-orbit calculations for coupling between B3Σu- sates and repulsive 1Πu,5Πu states have been made to interpret the predissociation mechanisms of the B3Σu- state. The lifetimes of B3Σu-(ν=0～6) have been calculated with scalar relativistic effects included or excluded,respectively,and reasonably agree with experimental values.     

Fabricating GeO2 passivation layer by N20 plasma oxidation for Ge NMOSFETs application

In this paper, oxidation of Ge surface by N2O plasma is presented and experimentally demonstrated. Results show that 1.0-nm GeO2 is achieved after 120-s N20 plasma oxidation at 300 ℃. The GeO2/Ge interface is atomically smooth. The interface state density of Ge surface after N20 plasma passivation is about - 3 × 1011 cm-2.eV-1. With GeO2 passivation, the hysteresis of metal-oxide-semiconductor （MOS） capacitor with A1203 serving as gate dielectric is reduced to - 50 mV, compared with - 130 mV of the untreated one. The Fermi-level at GeO2/Ge interface is unpinned, and the surface potential is effectively modulated by the gate voltage.     

Ferromagnetic-insulators-modulated transport properties on the surface of a topological insulator

Transport properties on the surface of a topological insulator （TI） under the modulation of a two-dimensional （2D） ferromagnet/ferromagnet junction are investigated by the method of wave function matching. The single ferromagnetic barrier modulated transmission probability is expected to be a periodic function of the polarization angle and the planar rotation angle, that decreases with the strength of the magnetic proximity exchange increasing. However, the transmission probability for the double ferromagnetic insulators modulated n-n junction and n-p junction is not a periodic function of polarization angle nor planar rotation angle, owing to the combined effects of the double ferromagnetic insulators and the barrier potential. Since the energy gap between the conduction band and the valence band is narrowed and widened respectively in ranges of 0 ≤ 0 〈π/2 and r/2 〈 0 ≤ π, the transmission probability of the n-n junction first increases rapidly and then decreases slowly with the increase of the magnetic proximity exchange strength. While the transmission probability for the n-p junction demonstrates an opposite trend on the strength of the magnetic proximity exchange because the band gaps contrarily vary. The obtained results may lead to the possible realization of a magnetic/electric switch based on TIs and be useful in further understanding the surface states of TIs.     

Spin-Dependent Electron Properties of a Triple-Terminal Quantum Dot Structure

Electron transport properties of a triple-terminal Aharonov-Bohm interferometer are theoretically studied. By applying a Rashba spin-orbit coupling to a quantum dot locally, we find that remarkable spin polarization comes about in the electron transport process with tuning the structure parameters, i.e., the magnetic flux or quantum dot levels. When the quantum dot levels are aligned with the Fermi level, there only appear spin polarization in this structure by the presence of an appropriate magnetic flux. However, in absence of magnetic flux spin polarization and spin separation can be simultaneously realized with the adjustment of quantum dot levels, namely, an incident electron from one terminal can select a specific terminal to depart from the quantum dots according to its spin state.     

Frequency in Middle of Magnon Band Gap in a Layered Ferromagnetic Superlattice

The frequency in middle of magnon energy band in a five-layer ferromagnetic superlattice is studied by using the linear spin-wave approach and Green＇s function technique. It is found that four energy gaps and corresponding four frequencie in middle of energy gaps exist in the magnon band along Kx direction perpendicular to the superlattice plane. The spin quantum numbers and the interlayer exchange couplings all affect the four frequencies in middle of the energy gaps. When all interlayer exchange couplings are same, the effect of spin quantum numbers on the frequency wg1 in middle of the energy gap Δw12 is complicated, and the frequency wg1 depends on the match of spin quantum numbers in each layer. Meanwhile, the frequencies wg2, wg3, and wg4 in middle of other energy gaps increase monotonously with increasing spin quantum numbers. When the spin quantum numbers in each layer are same, the frequencies wg1, wg2, wg3, and wg4 all increase monotonously with increasing interlayer exchange couplings.     

Landau damping of collective mode in a quasi-two-dimensional repulsive Bose-Einstein condensate

We investigate the Landau damping of the collective mode in a quasi-two-dimension repulsive Bose-Einstein condensate by using the self-consistent time-dependent Hatree-Fock-Bogoliubov approximation and a complete and orthogonal eigenfunction set for the elementary excitation of the system.We calculate the three-mode coupling matrix element between the collective mode and the thermal excited quasi-particles and the Landau damping rate of the collective mode.We discuss the dependence of the Landau damping on temperature,on atom number in the condensate,on transverse trapping frequency and on the length of the condensate.The energy width of the collective mode is taken into account in our calculation.With little approximation,our theoretic calculation results agree well with the experimental ones and are helpful for deducing the damping mechanics and the inter-particle interaction.