原子核电荷半径的Z1/3律

本文仔细调查了近几年来从μ介原子X射线及电子散射实验所确定的原子核电荷分布半径。根据70多个原子核的电荷半径的实验数据分析,核电荷半径系统地偏离国际文献上所习用的A^1/3律,而相当好地遵守Z^1/3律,即R_p=r_opZ^1/3 其中r_op≈1.64fm。本文还讨论了同位素和同中子异荷素的核电荷半径的变化规律。此外,按照Z^1/3律,原子核库仑能差△的变化近似地     

Kl3介子衰变

本文通过强作用K-π中间态,利用色散关系理论计算了Г(K_μ3⁺)/Г(K_α3⁺),Г(K₂⁰→πμ⁺ν)/Г(K₂⁰→πe⁺ν),{Г(K₂⁰→πe⁺ν)+Г(K₂⁰→πe^-ν)}/Г(K_α3⁺)分支比及K_μ3⁺衰变中的μ谱,当选择定则|ΔI|=1/2及ΔS=+ΔQ被破坏,并且I_z=1/2及I_z=3/2的振幅f^{3/2 1/2}(0)及f^{3/2 3/2}(0)不等时,上述分支比与实验能很好符合。在本文的理论中,形式因子不是常数。     

核电荷半径的同位旋相关性及其微观诠释

原子核电荷半径R_c所有的实验数据都表明, R_c系统偏离A^1/3律, 即随A增大R_c/A^1/3系统地递减, 而R_c/Z^1/3则比较接近于一个常量. 原子核巨单极共振能量E_x ∝ R^－1的大量实验数据也支持这一结论. 根本原因在于A^1/3律与同位旋无关, 而Z^1/3律已部分反映了同位旋的影响. 基于壳模型, 给出了Z^1/3律的微观诠释. 壳模型中质子和中子谐振子势强度参数ω_p和ω_n的差异, 可以用Z^1/3律说明. 基于与Wigner的原子核同位旋多重态质量公式(IMME)相似的理论考虑, 提出了核电荷半径改进的Z^1/3律.     

无定形靶中离子注入的R,Rp,△Rp的理论计算

本文在Thomas-Fermi势能基础上,导出了全射程R的解析解:R=2/a[E^1/2-A₁(arctg(2E^1/2-f)/△^1/2+arctg f/△^1/2)+B₁ln((E^1/2-f)²)/(E-fE^1/2+d) ·d/f²],其中A₁,B₁,f,d和△均为与离子及靶的质量、原子序数有关的常数。结合导出的η=R/(R_p)(R_p指投影射程)比值的双曲线函数关系 η=F(μ)[A₂(μ)+(B₂(μ))/(ε^1/2+C)],和ω=R_p/△R_p(△R_p指投影射程的标准偏差)比值的线性关系ω=A₃(μ)ε^1/21/2+B₃(μ),可简便而又准确地计算R,△R_p,R_p.这里F(μ),A₂(μ),B₂(μ), B₃(μ)和A₃(μ)为μ的代数函数,μ为离子与靶的质量比,C是经验常数.并对η等关系式的物理意义作了讨论。上述公式的计算结果与Gibbons的数值解结果及有关实验结果作了比较,表明可用于元素半导体如Si、二元化合物如GaAs以及三元化合物如SiO₂等;既对较轻离子适用,也对重离子适用,具有一定的普适范围。     

BeCl分子电子激发态的多参考组态相互作用计算

运用含Davidson修正的多参考组态相互作用方法,在aug-cc-pVTZ基组水平上,对BeCl分子基态和相同多重度的几个低电子激发态进行了势能扫描计算.通过群论原理确定各电子态对称性及离解极限.将其中基态(X²Σ⁺)和第一激发态(A²Π})对应的势能曲线拟合到Murrell-Sorbie解析势能函数形式,得到基态(X²Σ⁺)的离解能及主要光谱常数(括号中为文献[6]提供的实验值)为D_e=3.74eV,R_e=0.18173nm(0.17970),w_e=857.4cm¹(847.2),w_ex_e=5.03cm^-1(5.14),B_e=0.7103cm^-1(0.7285),α_e=0.0059cm^-1(0.0069),第一激发态(A²Π)的D_e=3.02eV,R_e=0.18369nm(0.18211),w_e=832.7cm^-1(822.1),w_ex_e=5.93cm^-1(5.24),B_e=0.6953cm^-1(0.7094),α_e=0.0065cm^-1(0.0068),计算结果与实验值符合得较好.另外,通过Level程序求解双原子径向核运动的Schrödinger方程得到J=0时BeCl分子这两个电子态的全部振动能级.     

相对论Thomas-Fermi近似下的核半径公式

使用QHD-I的相对论核场论模型,在Thomas-Fermi近似下讨论核力作用半径公式 R=R₀A^1/3,发现理论计算R₀的结果与高能α粒子与原子核散射的实验结果很好地符合.     

J/ψ强子衰变过程的角分布螺旋度形式

本文给出了e⁺e^－→J/ψ→V+X,V→P₁P₂和e⁺e^－→J/ψ→V+X,X→P₄P₅过程的角分布螺旋度形式.为e⁺e^－实验数据分析提供了理论公式.     

原子的解析波函数——Ⅱ.第二周期元素的正常态原子与离子的解析波函数与能量积分的计算

我们在文献[1]中设计了一套五个参数的变分波函数用来计算了周期表中前面十个原子的能量,所得结果比过去一些作者用四参数波函数所算得的结果为好。我们在过去计算经验的基础上,另外找到了一套特别简单的解析波函数,其形式为1s电子:ψ₁(r)=N₁e^-μar,2s电子:ψ₂(r)=N₂[(μr)e^-μr-Ne^-μar],2p电子:ψ₃(r)=N₃(μr)cosθe^-μr,ψ₄(r)=N₄(μr)sinθe^iφ-μr,ψ₅(r)=N₅(μr)sinθe^-iφ-μr,式中的α与μ为变分参数;N₁,N₂,N₃,N₄,N₅为归一化因子;N为正交化系数。μ可用解析法来决定,因而只有一个参数α要由数值法来决定。我们用这样的波函数算出了第二周期元素的正常态原子和离子(共有八十几个原子态)的各电子的各种能量积分值及总能量值,并确定了波函数的最佳参数值。其结果与五参数波函数的计算结果相比,一般相差在万分之一至千分之一的范围内,并比最近有些作者用一种三参数波函数所算的结果还好。根据这些结果,我们还讨论了Slater近似计算法的可靠程度和适用范围。     

正负电子对撞多粒子末态的动力学起伏

运用Jetset产生器分别在实验室系和冲度轴坐标系中对e⁺e^—对撞多粒子末态中阶乘矩的标度性质进行了研究.在这两种情况下,用各向同性的相空间分割得到的三维InF₂～InM都近似于直线,表明e⁺e^－对撞末态相空间中的动力学起伏近似各向同性.在实验室系中由p_x,p_y,p_z的F²～M拟合Ochs公式得到的三个γ值近似相等;在冲度轴系中,在φ方向上适当选取起始拟合点,三个γ值也比较相近,进一步肯定了这一论断.这一结果表明,软、硬过程动力学起伏的本质特征──各向异性或(近似)各向同性,可以通过碰撞过程中阶乘矩标度性质的研究而揭示出来.因此,深入研究各种碰撞过程中阶乘矩的标度性质,对于了解碰撞动力学的本质有重要意义.     

Electronic structures and magnetoelectric properties of tetragonal BaFeO3: an ab initio density functional theory study

First-principles calculations have been performed to investigate the ground state electronic properties of BaFeO₃ (BFO). Local spin density approximation (LSDA) plus U (LSDA+U) treatment modified the metallic behaviour to insulated one with a band gap of 4.12eV. The spontaneous polarization was found to be 89.3\muC/cm² with Berry phase scheme in terms of the modern theory of polarization. Fe-3d e_g were split into two singlet states (d_z² and d _x²-y²}), and Fe-3d t_2g were split into one doublet states(d_xz and d_yz) and one singlet states(d_xy) after Fe and O displaced along the c axis. Meanwhile the occupation numbers of d_z², d_yz, d_xz and O_T p_z (on the top of Fe) were increased at the expense of those in xy plane. Our results showed that it was the sensitivity of hybridization to ferroelectric distortions, not just the total change of hybridization, that produced the possibility of ferroelectricity. Moreover, the increasing occupation numbers of O_T p_z and Fe d_z² favoured the 180^o coupling between Fe-3d e_g and Fe-3d t_2g, leading to ferromagnetic ordering, which has been confirmed by the increase of magnetic moment by 0.13μ_B per formula unit in the polarized direction. Hence, the magnetization can be altered by the reversal of external electric field.     

化合物和合金中离子投影射程分布矩的计算(Ⅱ)——轻离子(Z1≤10)的射程分布矩

本文根据离子在固体材料中电子阻止截面的实验资料,给出了低能Li⁺,Be⁺,B⁺,C⁺,N⁺,O⁺,F⁺,Ne⁺等离子在固体中电子阻止截面S_e的经验公式。这些经验公式既能够很好地反映电子阻止本领的Z₁和Z₂振荡、又能正确地给出S_e随离子能量E的变化关系。用这种以实验为基础的S_e经验公式和符合于WHB势的核散射函数,计数了从H⁺到Ne⁺十种轻离子在非晶Al₂O₃,SiO₂,20/25/Nb不锈钢,LiNbO₃和UO₂等材料中的投影射程分布的一次至三次矩。将计算值与近几年的实验测量及其他人的计算结果进行了比较,在低能端,我们计算的平均投影射程R_p与实验符合得更好。 关键词：     

FURTHER STUDY ON NUCLEAR MASS FORMULA

For the nuclear mass even-odd difference ratio P/P′, there is sharp contradictionbetween Danos-Gillet's mass formula and the experiment. A new formula is presentedin this article, which has the different forms of coulomb energy, symmetry energy andpairing energy terms from the convensional ones. Not only it gives right value of P/P′but also the good agreement of β stability position and calculated binding energy withthe experiment are obtained.     

On the nature of energy bands in tetracyanoplatinates

Optical data and band calculations are presented for a series of tetracyanoplatinates with varying Pt—Pt-distance R. The band gap energies decrease according to R^-3 with decreasing R. The energy bands which determine the optical and electrical properties for E6 c originate from (Pt5d_z², 6s) and (Pt6p_z, CNπ¹) hybrid molecular states.     

A new method for determining relaxation energies by means of aes and xps and its application to silicon compounds

A new method is presented for the determination of the absolute dynamic relaxation energy R_D from experimental Auger parameters, the static dielectric constant and the plasmon energy of the solids. The relaxation energies of the Si 1s and 2p core levels in Si, SiC, SiO₂, Si₃N₄ and Na₂SiF₆ are investigated by comparing the experimental values with theoretical results from a semiempirical dielectric theory. Both the experimental and theoretical results are valid only for the least-bound Si 2p state. The calculated relaxation shifts ΔR_D^ea(1s) and ΔR_D^ea(2p) are in reasonable agreement with the experimental values, and describe the extraatomic polarization effect well also for a deep level.     

硅中空穴与核的超精细作用及p型硅的核磁弛豫

本文把半导体中载流子和它的原子核的超精细作用(包括非接触项)表达为作用在有效质量波函数上的“准接触作用”。具体对硅中Si²⁹核和价带空穴的这个作用可表达为{S₁(J_xμ_nx+J_yμ_ny+J_zμ_nz)+S₂(J_x³μ_nx+J_y³μ_ny+J_z³μ_nz)}δ(r-r_n),参量S₁、S₂是联系着价带顶的波函数的一些积分;一般地S₂≈0。用它来处理了p型硅中Si²⁹核的核自旋弛豫,得到弛豫时间的表达式;从弛豫时间的实验值估计了S₁的值;还从价带自旋轨道分裂值估计了同一参量。     

An investigation of distribution parameters for fluorine ion implantation in indium-tin-oxide films

Implanted-fluorine profiles in ITO films have been accurately measured using the ¹⁹F(p,αγ)¹⁶O resonance nuclear reaction at E_R=872.1 keV, with width Γ=4.2 keV. A proper deconvolution calculation method was used to extract the true distribution of fluorine from the experimental excitation yield curves. The experimental range distribution parameters, R_p and ΔR_p, were compared with those obtained from Monte Carlo simulation codes. PACS 61.72.Ww; 68.55.Ln     

正偏离Bragg定律的二元化合物靶中离子射程参数研究

研究了正偏离Bragg定律,即计算S_e(E)值高于实测S_e(E)的二元系化合物靶的离子射程特性。文中应用“regular”观点引入了“双原子模型”,在二元化合物靶的射程计算中,不仅考虑相同“原子对”对离子的阻止本领S₁₁(E),S₂₂(E),而且考虑不同“原子对”对离子的阻止本领S₁₂(E),S₂₁(E)。文中还应用Berthelot关系,使S₁₂(E)=S₂₁(E)=(S₁₁(E)·S₂₂(E))^1/2,则二元系靶的阻止本领及总的射程为NS(E)=1/2[(N₁S₁₁(E))^1/2+(N₂S₂₂(E)^1/2)]², R=4/a[x-A₁(arctg(2x+f)/△^1/2-arctg(f/△^1/2))-B₁(ln(x+g)²/g²·e/(x²+fx+e)) -b/2 ln(x²+fx+e/e)。这里X=E^1/2,E为离子注入能量,所有其它常数是与离子和靶的质量、原子序数有关的常数。结合文献[1]提出的R与R_p,R_p与△R_p的关系式,可计算得正偏离系统的投影射程R_p及其偏差量△R_p。并对各关系式的物理意义作了阐明。 关键词：     

Negative-parity states of75As and the interacting boson-fermion model

The result of an IBFM multilevel calculation with the 2p_3/2, 1f_5/2 and 2p_1/2 single particle orbits is reported for the negative parity states of the odd mass nucleus⁷⁵As. Comparisons are made with experimental data for energy spectra, transition probabilities, mixing ratios, electric quadrupole and magnetic dipole moments. Also, an IBM-1 calculation is presented for the low-lying states in the even-even⁷⁴Ge core nucleus.     

Spectroscopic and structural proprieties of LiAr and LiAr<Subscript>2</Subscript> molecules

We determined and tried to understand the spectroscopic and structural properties of small LiAr and LiAr₂ molecules within a simple model considering LiAr as a result of interaction between a valence electron and a LiAr⁺ molecular ion. Potential energy curves, spectroscopic constants, and vibrational levels corresponding to the Li(2s, 2p, 3s, and 3p)+Ar dissociation are reported for the LiAr molecule. The depth of the potential well for the X ²Σ⁺ ground state is found to be 50 cm⁻¹ (the corresponding experimental value is (42.5±1.2) cm⁻1 [1]). R _e is determined to be 9.36 a.u. (the experimental value is 9.24 a.u.). For the first excited state A, R _e = 4.97 a.u. and D _e = 993cm ⁻¹ (the corresponding experimental values are 4.68 a.u. and (925−40) cm⁻¹, respectively [1]). The spacing between the vibrational levels for the ground and first excited states is in very good agreement with the experiment. For the ground state, the difference between our results and the data of the most recent experiment is about 1 cm⁻¹. The model has been extended to study the LiAr₂ molecule in two forms (linear and triangular). We have determined the potential energy surfaces of the states dissociating to Li(2s, 2p)+Ar₂ and thus found the triangular form to be more stable as compared to the linear one. We have also calculated the transition energy between the ground state and first excited states of this molecule. The emission spectrum of the Li(2s)+Ar₂→Li(2p)+Ar₂ transition in both forms redshifts as compared to the Li(2s)→Li(2p) atomic transition.