Investigation on the deformation of Ne and Mg isotope chains within relativistic mean-field model

Ne and Mg isotope chains are investigated based on constrained calculations in the framework of a deformed relativistic mean-field （RMF） model with the NL075 parameter set. The calculated quadrupole deformation and binding energy are compared with other theoretical results as well as the available experimental data. It shows that the calculated deformations of Ne and Mg with the NL075 are more accurate than those obtained with the NL-SH. It is predicted that ^19,29,32Ne and ^20,31Mg maybe have a triaxial deformation and ^25-28Ne and ^27-30Mg exhibit a shape coexistence probably. The closure effect of neutron number N=8 for ^20Mg is predicted to be very weak.     

Theoretical Investigation of the Exotic Structure of the Mirror Nuclei ^17Ne and ^17N

The exotic structures of the ground state of the mirror nuclei ^17Ne and ^17N are investigated by means of the asymptotic normalization coefficient （ANC） method to explore the role of the Coulomb interaction, The probebilities of a valence nucleon outside the binding-potential are P = 56.69±2.98/7.46% for ^17Ne and P = 45.51±2.32/5.81% for ^17N. The rms radii are （r^2）^1/2 = 5.06±0.11/0.30 fm and （r^2）^1/2=4.24±0.06/0.16 fm, respectively. The results obtained are nearly independent of the potential parameters. According to the halo occurrence conditions, it is suggested that ^17Ne is a two-proton halo and ^17N is a two-neutron skin. Moreover, two effects of the Coulomb interact-ion on the exotic structure are analysed. From the present results, the exotic structure of the nucleus in the proton-rich side is more obvious than that of its mirror nucleus because of the Coulomb interaction.     

A Simple Systematical Law of E2＋ Values for Heavy Nuclei in the NpNn Scheme and the Evolution of the Z=64 Shell Gap

A systematics of excitation energy of the first 2^＋ state E2＋ in even-even heavy nuclei （A ≥ 120） is studied in the NpNn scheme. It is found that a simple exponential function describes the dependence of E2＋ values on NpNn values very well. In addition, the Z = 64 shell gap is reexamined by investigating the systematics of the 52 ≤ Z ≤66 region. It is found that the Z = 64 shell gap is largest at N = 82 and becomes smMler with either increasing or decreasing of neutron numbers. The effects of this shell gap become negligible for counting the valence proton numbers when N ≥ 92 or N ≤ 72.     

Study of 1／2 [660] （π^i13／2） Rotation Band in ^179Au

High-spin states in ^179Au have been studied experimentally by using the ^149Sm(^35C1, 5n) reaction at beam energies of 164,~180 MeV. The ^35C1 beam was provided by the tandem accelerator at the Japan Atomic En-ergy Research Institute (JAERI). The target is an isotopically enriched ^149Sm metallic foil of 1.5 mg/cm^2 thickness with a 5.0 mg/cm^2 Pb backing. Measurements of γ-ray excitation functions, X-γ coincidences and γ-γ-t coincidences were performed with 13 HPGe‘s with BGO anti-Compton shields and three LOAX detectors.     

Effect of 0h11/2 Level on Shell Model Calculations of ^105Sb and ^107Sb

The full and reduced shell model calculations have been carried out for the light odd-even ^105Sb and ^107Sb isotopes. The model space has been chosen as 1d5/2, 0g7/2, 1d3/2, 2s1/2, and 0h11/2 for the full calculations and excluded 0h11/2 for the reduced calculations. The reduced shell model calculations of ^105Sb and ^107Sb isotopes are presented for the first time. We obtain the energy spectra for the ^105Sb and ^107Sb isotopes in the full and reduced model space by using CD-Bonn two-body effective nucleon-nucleon interaction. The resulting energy spectra are compared to the experimental results to understand the effect of the 0h11/2 level on the shell model calculations. We draw conclusions about the right model space in the shell model calculations for the isotopes around the N =Z= 50 region of the periodic table.     

Density functional theory study of Mg2Nin （n = 1-8） clustersDensity functional theory study of Mg2Nin （n = 1-8） clustersDensity functional theory study of Mg2Nin （n = 1-8） clustersDensity functional theory study of Mg2Nin （n = 1-8） clustersDensity functional theory study of Mg2Nin （n = 1-8） clusters

The density functional theory B3PW91 with LANL2DZ basis sets has been used to study the possible geometries of Mg2Nin （n - 1-8） clusters. For the lowest energy structures of the clusters, stabilities, electronic properties, and natural bond orbital （NBO） are calculated and discussed. The results show that the doped Mg atoms reduce the stabilities of pure Ni clusters. The Mg2Ni2, Mg2Ni4, and Mg2Ni6 clusters are more stable than neighboring clusters. The system appears magic number characteristics. In addition, the hybridization phenomenon occurs, owing to the interaction of Mg and Ni. The result of charge transfer is that Ni atom is negative and the Mg atom is positive. We also conclude that the 3p and 4d orbitals of the Ni atom have an effect on the stabilities of the clusters.     

Blocking Effect and Moments of Inertia of K = 1／2 Rotational Band in ^171Yb

The K=1/2 rotational band in ¹⁷¹Yb is investigated using the particle number conserving (PNC) method for treating the cranked shell model with monopole and quadrupole pairing interactions. The experimental moments of inertia of ¹⁷¹Yb [521]1/2 (signature α =±1/2) are reproduced well by the PNC calculation, in which no free parameter is involved. The difference in the contribution to the moment of inertia between protons and neutrons is mainly due to the blocking effect of neutron normal orbitals. The ω variation of the occupation probability of each cranked orbital and the contribution to the moment of inertia from each major shell and from each cranked orbital are investigated.     

Structures of ^17F and ^17O, ^17Ne and ^17N in the Ground State and the First Excited State

The structures of two couples of mirror nuclei ^17F and ^17O, ^17Ne and ^17N in the ground state and in the first excited state are investigated using the relativistic mean-field approach. Two-proton halo in ^17Ne in the first excited state and in the ground state and two-neutron halo in ^17N in the first excited state are suggested.Meanwhile, one-proton halo in ^17F in the first excited state and one-neutron halo in ^17O in the first excited state are also suggested. The skin structure appears in ^17F and ^17N in the ground state.     

N2H4和He（2^3S）,Ne（^3P0,2）的解离激发反应

本文利用分子束和化学发光技术，在单次碰撞条件下，首次研究了Ｎ２Ｈ４与亚稳态原子Ｈｅ（２＾３Ｓ），Ｎｅ（＾３Ｐ０，２）的解离激发反应，探测到反应的激发态产物ＮＨ（Ａ＾３Π）的化学发光。Ｎ２Ｈ４与Ｈｅ（２＾３Ｓ）的解离激发反应还探测到ＮＨ（ｃ＾１Π）的化学发光。同样条件下，Ｎ２Ｈ４与Ａｒ（＾３Ｐ０，２）作用没有观察到ＮＨ（Ａ，ｃ）的发光光谱。利用计算机模拟化学发光光谱，求得激发态产物ＮＨ（Ａ＾３Π）和     

First-Principle Study of H2 Adsorption on Mg3N2（ll0） Surface

The adsorption of H2 on two kinds of Mg3N2（110） crystal surface is studied by first principles. Adsorption sites, adsorption energy, and the electronic structure of the Mg3N2（110）/H2 systems are calculated separately. It is found that H2 is mainly adsorbed as chemical adsorption, on these sites the 1-12 molecules are dissociated and the H atoms tend to the top of two N, respectively, forming two NH, or the H atoms tend to the same N forming one NH2. There are also some physicM adsorption sites. One of the bridge sites of Mg3N2 （110） surface is more favorable than the other sites. On this site, H atoms tend to the top of two N, forming two NH. This process belongs to strong chemical adsorption. The interaction between 1-12 molecule and Mg3N2（110） surface is mainly due to the overlap-hybridization among Hls, N 2s, and N 2p states, covalent bonds are formed between the N and H atoms.     

Reanalysis of the （0^＋, 1^＋） States Bs0 and Bs1 with QCD Sum Rules

We calculate the masses and decay constants of the P-wave strange-bottomed mesons Bs0 and Bs1 with the QCD sum rules, and observe that the central values of the masses Bs0 and Bs1 are smaller than the corresponding BK and B^＊K thresholds respectively, the strong decays Bs0→ BK and Bs1→B^＊K are kinematically forbidden. They can decay through the isospin violation processes Bs0→ Bsη → Bsπ^0 and Bs1 → Bs^＊η → Bs^＊π^0 .The bottomed mesons Bs0 and Bs1, just like their charmed cousins Ds0（2317） and Ds1（2460）, may be very narrow.     

Re-evaluation of the ^23Mg（p,γ） ^24Al reaction rate

Based on a new screening Coulomb model, this paper discusses the effect of electron screening on proton capture reaction of 23Mg. The derived result shows that, in some considerable range of stellar temperatures, the effect of electron screening on resonant reaction is prominent; on the non-resonant reaction the effect is obvious only in the low stellar temperatures. The reaction rates of ^23Mg（p,γ） ^24Al would increase 15%-25% due to the fact that the electron screening are considered in typical temperature range of massive mass white dwarfs, and the results undoubtedly affect the nucleosynthesis of some heavier nuclei in massive mass white dwarfs.     

Theoretical Study of Compressibility and Thermoelasticity of LaNi5-xAlx （x= 0.3, 0.5 and 1.0）

The compressibility, the temperature dependence of bulk modulus, the pressure dependence of normalized volume V/V0, thermal expansion coefficient and Debye temperature of LaNi5-xAlx compounds are successfully obtained using the first-principles plane-wave pseudopotential （PW-PP） method, the EOSFIT6.0 software and the quasiharmonic Debye model. The rapid decrease of relative lattice constant a/a0 shows that the deformation is easier in directions normal to the c-axis than that along it. The relationships between bulk modulus B and pressure at different temperatures are also analysed. It is found that the bulk modulus B increases monotonically with increasing pressure. Moreover, the pressure dependences of thermal expansion and Debye temperature are also successfully obtained. The calculated results are in agreement with the experimental data.     

Affine A3^（1） N = 2 Monopole as the D Module and AiTine ADHMN Sheaf

A Higgs-Yang-Mills monopole scattering spherical symmetrically along light cones is given. The left incoming anti-self-dual α plane fields are holomorphic, but the right outgoing SD β plane fields are antiholomorphic, meanwhile the diffeomorphism symmetry is preserved with mutual inverse afiine rapidity parameters μ and μ^-1. The Dirac wave function scattering in this background also factorized respectively into the （anti）holomorphic amplitudes. The holomorphic anomaly is realized by the center term of a quasi Hopf algebra corresponding to an integrable conformal affine massive field. We find explicit Nahm transformation matrix （Fourier Mukai transformation） between the Higgs YM BPS （fiat） bundles （1） modules） and the affinized blow up ADHMN twistors （perverse sheafs）. Thus we establish the algebra for the ＇t Hooft Hecke operators in the Hecke correspondence of the geometric Langlands program.     

Production and Identification of New Isotope ^265Bh（Z=107）

New Isotope ^265Bh was produced in bombardment of a ^243Am target with 168 MeV 26Mg ions. The experiment was carried out at the Sector Focus Cyclotron of Heavy Ion Research Facility in Lanzhou in 2003. The reaction products were transported and collected by using helium-jet technique and a set of rotating wheel system. Identification was made by observation of correlated a-particles between the new isotope ^265Bh and its ^261Db and ^257Lr daughter nuclei. A parent-daughter searching mode was used to facilitate detection of α-α correlations. A total of four pairs of PIPS detector (200mm^2 active area) were used to measure the kinetic energy of a particles. The a particle energy resolution was about 40 keV for the top detectors and 100 keV for the bottom detectors because of energy degradation in the polypropylene foil.     

Total Cross Sections for Electron Scattering from the Isoelectronic （Z = 14） Molecules （C2H2, CO, HCN and N2） at 100－5000eV

A complex optical model potential correlated by the conception of bonded atom, which considers the overlapping effect of electron clouds between the two atoms in a molecule, is firstly employed to calculate the total cross sections for electron scattering from the isoelectronic (Z = 14) molecules (C2H2, CO, HCN, and N2) at 100-5000 eV using the additivity rule at the Hartree-Fock level. The difference between the bonded atom and the free one is that the overlapping effect of electron clouds of bonded atoms in molecules is considered. The quantitative molecular total cross section results are compared with the experimental data and with the other calculations wherever available and good agreement is obtained above 100 eV. It is shown that the additivity rule along with the complex optical model potential considering the overlapping effect of electron clouds can give the results better than that uncorrelated by it. The correlating calculations are much closer to the experiments than the spherical-complex-optical-potential results in the lower energy region [Phys. Rev. A 45 (1992) 202]. Therefore,considering the overlapping effect of electron clouds in the complex optical potential could be helpful for the better accuracy of the total cross section calculations of electron scattering from molecules.     

First-principle investigation of the electronic and magnetic properties of PbMn（SO4）2

The magnetic properties of oxide PbMn(SO₄)₂ consisted of MnO₆ octahedra which connected with each other through SO₄ tetrahedra, are well studied in experiments. In this paper, we explored its interesting electronic and magnetic properties with first-principle calculations. Our results show that all Mn ions have high spin states, namely, S = 5/2, and the magnetic couplings between NN and NNN are antiferromagnetic, which agree well with the experimental results. Besides, the surprising results of spin exchange interactions between the NN and NNN are excellently explained with extended Hückel tight-binding calculations.     

Electron Paramagnetic Resonance and Optical Absorption of VO2＋ Doped Bis （glycinato） Mg （II） Monohydrate Single Crystals

We investigate the electron paramagnetic resonance （EPR） of VO2＋ ions in bis （glycinato） Mg （II） monohydrate single crystals at room temperature. Detailed EPR analysis indicates the presence of only one VO2＋ site. The vanadyl complexes are found to take up the substitutional position. The angular variation of the EPR spectra in three planes a＊b, bc and ca＊ are used to determine principal g and A tensors. The values of spin Hamiltonian parameters are gx= 2.1447× 10-4, gy= 1.9974×10-4, gz= 1.9131×10-4, Ax= 49×10-4, Ay= 60×10-4, Az= 82×10-4 cm-1. The optical absorption study is also carried out at room temperature and absorption bands are assigned to various transitions. The theoretical band positions are obtained using energy expressions and a good agreement is found with the experimental data. By correlating EPR and optical data, different molecular orbital coefficients are evaluated and the nature of bonding in the crystal is discussed.     

First-principles study of mechanical stability and thermal properties of MNNi3 （M=Zn,Mg,Al） under pressure

The mechanical stability,elastic,and thermodynamic properties of the anti-perovskite superconductors MNNi 3（M=Zn,Mg,Al） are investigated by means of the first-principles calculations.The calculated structural parameters and elastic properties of MNNi 3 are in good agreement with the experimental and the other theoretical results.From the elastic constants under high pressure,we predict that ZnNNi 3,MgNNi 3,and AlNNi 3 are not stable at the pressures above 61.2 GPa,113.3 GPa,and 122.4 GPa,respectively.By employing the Debye model,the thermodynamic properties,such as the heat capacity and the thermal expansion coefficient,under pressures and at finite temperatures are also obtained successfully.     

Spinor Decomposition of SU（2） Gauge Potential and Spinor Structures of Chern-Simons and Chern Density

In this paper, the decomposition of SU(2) gauge potential in terms of Pauli spinor is studied. Using this decomposition, the spinor structures of Chern Simons form and the Chern density are obtained. Furthermore, the knot quantum number of non-Abelian gauge theory can be expressed by the Chern-Simons spinor structure, and the second Chern number is characterized by the Hopf indices and the Brouwer degrees of Φ-mapping.