掺铒硅发光的晶场分裂

测量了掺铒硅的高分辨光致发光光谱，得到9条铒发光分裂谱线.利用群对称理论指出9条谱线来自Er³⁺中⁴I_13/2到⁴I_15/2光跃迁在T_d晶场下的分裂.Er³⁺的第一激发态⁴I_13/2最低能量的两个Stark能级为Γ₈，Γ₆(能量递增)，它们到基态⁴关键词：     

使用等价轨道法计算AB型晶体的倍频系数

在忽略电子-声子相互作用的基础上,本文探讨了从能带波函数出发计算AB型晶体倍频系数的可能性。采用计算AB型晶体能带的近似方法——等价轨道法。计算了k=0点的倍频系数,然后通过带宽的修正,使k=0点的倍频系数近似地表为不同k点倍频系数的平均,这一平均值乘以第一布里渊区内k点的总数就是晶体的宏观倍频系数。计算了十七种闪锌矿型和纤维锌矿型晶体的倍频系数,计算值和实验值的吻合相当满意。从中得出几点有用的结论:(1)倍频系数的双能级跃迁模型对闪锌矿型结构是适用的;但对纤维锌矿型结构并不适用。(2)纤维锌矿型晶体的X₃₃₃^2ω系数可表示成两项之和:单重态(Γ₁,Γ₃)的贡献和双重态(Γ₅,Γ₆)的贡献。其中单重态对倍频系数贡献正值,双重态贡献负值。(3)使用Pauling的离子性标度f_i来表征A—B键的离子性是适宜的。 关键词：     

关于93Mo中21/2+晕阱的来源(英文)

本研究通过壳模型计算研究了N=51的同中子素91Zr、93Mo和95Ru中高自旋晕态21/2+的同核异能态现象。计算发现,低角动量的p_1/2轨道上的质子是仅在93Mo中存在21/2+晕阱的主要原因。同时,本工作还研究了N=52的同中子素92Zr、94Mo和96Ru中10₁+-12₁+能级结构的系统性,发现94Mo中的10₁+-12₁+能级间隙相对最小,考虑到与93Mo的17/2₁+-21/2₁+能级相似的组态,这一结果为93Mo中出现21/2+晕阱提供了补充性的论证。Isomerism of the high-spin yrast 21/2+ states of the N=51 isotones 91Zr, 93Mo and 95Ru has been investigated using the shell model calculations. It is found that the low-j πp_1/2 is responsible for the only yrast trap in 93Mo. In addition, the relatively smaller 10₁+-12₁+ level spacing in 94Mo has been found by investigating the systematics of the 10₁+-12₁+ level structures in the N=52 isotones 92Zr, 94Mo and 96Ru. This result provides a supplementary argument to the origin of the 21/2+ yrast trap in 93Mo from the viewpoint of the similarity between the configurations of 10₁+-12₁+ states in 94Mo and those of 17/2₁+-21/2₁+ states in 93Mo.     

半哈斯勒化合物XYZ(X=Li,Na, K; Y=Ag,Au; Z=S,Se, Te)拓扑性质的第一性原理研究

利用密度泛函理论和k·p模型方法对半哈斯勒化合物XYZ(X=Li,Na,K;Y=Ag,Au;Z=S,Se,Te)进行了研究．半哈斯勒化合物XYZ可以看作是由Xⁿ⁺离子填充到闪锌矿YZ^n-晶格组成．它们的s态电子形成双重简并Γ₆⁽(2))能带，p-d杂化态形成双重简并Γ₇⁽(2))能带和四重简并Γ₈⁽(4))能带．当s型的Γ₆⁽(2))能带高于Γ₇⁽(2))和Γ₈⁽(4))能带时，化合物为普通绝缘体．然而，当s型Γ₆⁽(2))能带低于Γ₇⁽(2))和Γ₈⁽(4))能带时，化合物是拓扑非平庸绝缘体(如NaAuS)或半金属(如NaAuTe)，这还要取决于负或正...     

BH分子8个Λ-S态和23个Ω态光谱性质的理论研究

本文利用内收缩多参考组态相互作用方法计算了BH分子8个低电子态(X~1∑~+、a~3∏,A~1∏,b~3∑~-,2~3∏,1~3∑~+,1~5∏~-和1~5∏)和在自旋-轨道耦合效应下所产生的23个Ω态的势能曲线、以及X~1∑_0~+~+,a~3∏_0~+,a~3∏₁,a~3∏₂和A~1∏₁态之间6对跃迁的跃迁偶极矩.为了获得精确的势能曲线,计算中修正了单双电子激发、核价相关效应、相对论效应和基组截断带来的误差.获得的BH分子的光谱和跃迁数据与现有的理论值和实验值符合得很好.计算结果表明:BH分子的A~1∏₁(v’=0-2,J’=1,+)→X~1∑_0~+~+(v"=0-2,J"=1,-)跃迁具有较大的爱因斯坦A系数和加权的吸收振子强度、高度对角化分布的振动分支比,A~1∏₁态具有较短的辐射寿命.另外,a~3∏_0~+和a~3∏₁态对A~1∏₁(v’=0)...     

CEMS和慢正电子束研究ZrO2(Y)中Fe的热动力学行为

用内转换电子穆斯堡尔谱（ＣＥＭＳ）和慢正电子束研究了含３％Ｙ₂Ｏ₃的ＺｒＯ₂中⁵⁷Ｆｅ离子（１００ｋｅＶ，３×１０¹⁶ａｔ．／ｃｍ²）注入态及其在氢气氛中退火的热力学行为．注入态以Ｆｅ³⁺，Ｆｅ²⁺和Ｆｅ⁰存在，它们分别是Ｆｅ³⁺-Ｖ（空位）复合体、二聚体和超顺磁颗粒．经４００，５００℃退火后，Ｆｅ³⁺-Ｖ分解，分别出现了α-Ｆｅ的前期相和α-Ｆｅ纳米颗粒．含Ｆｅ的ＺｒＯ₂（Ｙ）混合导电的出现可能是和Ｆｅ的不同价态及其相对含量有关 关键词：     

n+1维双sine-Gordon模型的Coleman相变

本文计算了n+1维双sinc-Gordon模型的高斯有效势,在高斯有效势近似下,证明:n≥3的模型是平凡的,n<3的模型存在一个Coleman相交点,临界耦合参数为β_cr=(2ⁿ⁺²π^(n+1)/2(α_1R+α_2R/4)^(3-n)/2)/(Γ(1/2(3-n))(α_1R+α_2R/16)). 关键词：     

CH2Br2的同步辐射光电离研究:10—12eV范围内CH2Br2的振动自电离态

报道在超声射流冷却条件下用同步辐射ＶＵＶ光源研究ＣＨ₂Ｂｒ₂的振动自电离结构．根据测量的１０５—１２３ｎｍ范围内母体离子（ＣＨ₂Ｂｒ₂⁺）的光电离产率曲线，获得ＣＨ₂Ｂｒ₂的绝热电离势为１０.２３±０.０１ｅＶ．ＣＨ₂Ｂｒ₂⁺的最低三个电子激发态，即Ａ（²Ａ₂），Ｂ（²Ｂ₁），Ｃ（²Ａ₁）分别位于１０.７８±０.０１ｅＶ，１１.２０±０.０１ｅＶ和１１.２７±０.０１ｅＶ．在１１５.０１—１２１.１５ｎｍ范围内，观察到ＣＨ₂Ｂｒ₂自电离峰叠加在若干台阶结构上，台阶平均宽度为７１６.８±４０.０ｃｍ^-1，对应于ＣＨ₂Ｂｒ₂⁺（Ｘ²Ｂ₂）中Ｂｒ-Ｃ-Ｂｒ反对称的伸缩振动（ｖ₉），所有的峰均归属为收敛于ＣＨ₂Ｂｒ₂⁺（Ｘ²Ｂ₂，ｖ⁺）振动能级的ｎｓ，ｎｐ和ｎｄ自电离Ｒｙｄｂｅｒｇ态．此外，对ＣＨ₂Ｂｒ₂光解离电离产生离子型自由基ＣＨ₂Ｂｒ⁺（Ｘ）的光电离产率曲线的结构也进行了归属 关键词：     

吡啶非谐振耦合(费米共振)的二维相关拉曼光谱研究

费米共振(FR)是一种广泛存在于分子内和分子间的分子振动耦合和能量转移现象。研究了吡啶与乙醇混合溶液中的吡啶分子内费米共振效应(ν1～ν₁₂,ν₁+ν₆～ν₈),发现了吡啶乙醇存在分子间氢键(O—H…N),通过费米共振参数变化和二维相关拉曼光谱(2DCRS)揭示了吡啶乙醇溶液相互作用机理。ν₁～ν₁₂,ν₁+ν₆～ν₈通过非谐相互作用引起能量转移,从而导致费米共振参数的变化。2DCRS可以提供更多费米共振信息,阐明了费米双峰的相互作用机制。     

偶偶核21+态电四极矩的局域关联与对数NpNn系统性规律

相邻原子核2₁⁺态的电四极矩之间的局域关联可由轴对称转子模型和非简谐振子模型推导得到。这种局域关联所对应的偏微分方程可以约束电四极矩的N_pN_n系统性演化,进而可以推得:在对数坐标的N_pN_n scheme中,电四极矩应具有线性演化特征。这一特征与偶偶核2₁⁺态的激发能及其跃迁至基态的约化跃迁几率的N_pN_n系统性规律类似。实验数据也证实了2₁⁺态电四极矩局域关联及对数N_pN_n线性演化特征是比较可靠的。使用这些局域关联与N_pN_n系统演化规律,还对未知电四极矩进行了预言,同时也减少了Ba同位素电四极矩实验数据上的不确定性。     

Pairing symmetry in layered BiS2 compounds driven by electron-electron correlation

We investigate the pairing symmetry of layered BiS2 compomlds by assuming that electron-electron correlation is still important so that the pairing is rather short range. We lind that the extended .s-wave pairing symmetry always wins over d-wave when the pairing is confined between two short range sites up to next nearest neighbors. The pairing strength is peaked around the doping level ：r = 0.5. which is consistent with experimental observation. The extended s-wave pairing symmetry is very robust against spin orbital coupling because it is mainly determined by the structure of Fermi surfaces, Moreover. the extended s-wave pafiring can be distinguished from conventional swave pairing by measuring and comparing superconducting gaps of different Fermi surfaces.     

The magnetic resonance in high-temperature superconductors: evidence for an extended s-wave pairing symmetry

We have identified several important features in the neutron scattering data of cuprates that are difficult to explain in terms of d-wave and isotropic s-wave order parameters. Alternatively, we show that the neutron data are in quantitative agreement with an order parameter that has an extended s-wave (A_1g) symmetry and opposite sign in the bonding and antibonding electron bands formed within the Cu₂O₄ bilayers. The extended s wave has eight line nodes and changes sign when a node is crossed. This A_1g pairing symmetry may be compatible with a charge-fluctuation-mediated pairing mechanism.     

大变形核中对力对内部激发的影响

本文提出了一个处理原子核中nn及pp对力的近似方法。这个方法避免了通常将BCS-Боголюбов方法应用于原子核所引起的困难,例如粒子数不守恒,假态的出现以及不同激发态波函数不正交等。但这个方法只有在所需考虑的粒子数n及能级数Ω不太大时(n≤10,Ω≤10)才能较方便地被应用,近似程度才比较好。在这个方法中,毋须引入准粒子的概念,激发的多体性质被明显地表示出来。系统的激发可分为两大类型。第一类型激发是一种以多体系为背景的单粒子跃迁,相应于一个准粒子的跃迁α_v⁺α_v,或两个准粒子的激发α_v⁺β_v′⁺,α_v⁺α_v′⁺(v≠v′)。第二类型激发是对激发,在这种激发中,各能级上共轭粒子对的填充几率改变了,相应于共轭的准粒子对的激发α_v⁺β_v⁺,α_v⁺β_v⁺α_μ⁺β_μ⁺,….本文还考察了对力在r及β跃迁中的影响。在β跃迁中,对力一般是使跃迁受阻。在r跃迁中,对力的效应随初末态间的相对激发类型不同而异,如相对激发属于第一类型,则跃迁受阻,受阻程度随跃迁的电磁性质不同而有所差别,如相对跃迁属于第二类型,则在无对力作用时跃迁是禁戒的,在对力作用下也只有由电荷电流所产生的电跃迁是允许的。最后本文以Hf¹⁷⁸为例,应用上述方法,初步分析了对力对偶偶核的内部激发能谱及β衰变的影响。     

Extended s-wave pairing symmetry on the triangular lattice heavy fermion system

We investigate the pairing symmetry of the Kondo-Heisenberg model on triangular lattice, which is believed to capture the core competition of Kondo screening and local magnetic exchange interaction in heavy electron compounds. On the dominant background of the heavy fermion state, the introduction of the Heisenberg antiferromagnetic interaction (J _H ) leads to superconducting pairing instability. Depending on the strength of the interactions, it is found that the pairing symmetry favours an extended s-wave for small J _H and high conduction electron density but a chiral \(d_{x^2 - y^2 } + id_{xy}\)-wave for large J _H and low conduction electron density, which provides a phase diagram of pairing symmetry from the calculations of the ground-state energy. The transition between these two pairing symmetries is found to be first-order. Furthermore, we also analyze the phase diagram from the pairing strengths and find that the phase diagram obtained is qualitatively consistent with that based on the ground-state energy. In addition, we propose an effective single-band BCS Hamiltonian, which is able to describe the low-energy thermodynamic behaviors of the heavy fermion superconducting states. These results further deepen the understanding of the antiferromagnetic interaction which results in a geometric frustration for the model studied. Our work may provide a possible scenario to understand the pairing symmetry of the heavy fermion superconductivity, which is one of active issues in very recent years.     

原子核的对相互作用对裂变碎块角分布的影响

我们把Migdal的关于基态原子核转动惯量的半经典近似的推导,推广到激发态(T≠0)情形;并由此计算了裂变碎块角分布参数K₀²。与实验数据比较的结果表明:在现有近似下,原子核的对相互作用能解释U区裂变核在低激发能(E_exc≤15MeV)时,K₀²“反常”小的现象,同时利用对相互作用与角动量的依赖关系,可以定性地解释Pb附近裂变核并没有这种“反常”现象。     

HighT c superconductivity in the itinerant Ising model II. Spin triplet pairing

We study the spin triplet pairing superconducting states of the itinerant Ising model. The spin and spatial symmetries of the states are explored. We find that only a restricted set of spin symmetry states are allowed, while an infinite number of spatial symmetry states exist. The spin triplet pairing states can either be gapless or have finite energy gaps, but all spin triplet pairing states have the sameT _c .The free energies of spin triplet and spin singlet pairing states are calculated and compared.     

Competition mechanism between singlet and triplet superconductivity in the tight-binding model with anisotropic attractive potential

Based upon the tight-binding formalism a model of a high-T_c superconductor with isotropic and anisotropic attractive interactions is considered analytically. Symmetry facets of the group C_4v are included within a method of successive transformations of the reciprocal space. Complete sets of basis functions of C_4v irreducible representations are given. Plausible spin-singlet and spin-triplet superconducting states are classified with regard to the chosen basis functions. It is displayed that pairing interaction coefficients and the dispersion relation, which can be characterized by the parameter η= 2t₁/t₀, have a diverse and mutually competing influence on the value of the transition temperature. It is also shown that in the case of a nearly half-filled conduction band and an anisotropic pairing interaction the spin-singlet d-wave symmetry superconducting state is realized for small values of the parameter η, whereas in the opposite limit, for sufficiently large values, the spin-triplet p-wave symmetry superconducting state has to be formed. This result cannot be obtained within the Van Hove scenario or BCS-type approaches, where the p-wave symmetry superconducting state absolutely dominates. The specific heat jump and the isotope shift as functions of the parameter η are assessed and discussed for the d-wave symmetry singlet and the p-wave symmetry triplet states.     

Coulomb repul sion of hole s and competition between $${d_{{x^2} - {y^2}}}$$ -wave and s-wave paring s in cuprate superconductor s

The effect of the Coulomb repulsion of holes on the Cooper instability in an ensemble of spin–polaron quasiparticles has been analyzed, taking into account the peculiarities of the crystallographic structure of the CuO₂ plane, which are associated with the presence of two oxygen ions and one copper ion in the unit cell, as well as the strong spin–fermion coupling. The investigation of the possibility of implementation of superconducting phases with d-wave and s-wave of the order parameter symmetry has shown that in the entire doping region only the d-wave pairing satisfies the self-consistency equations, while there is no solution for the s-wave pairing. This result completely corresponds to the experimental data on cuprate HTSC. It has been demonstrated analytically that the intersite Coulomb interaction does not affect the superconducting d-wave pairing, because its Fourier transform V _q does not appear in the kernel of the corresponding integral equation.     

混合配对态波函数方程的解

从群论分析角度,在C_4v点群中,讨论了高温超导混合配对态对称性问题.考虑了层间载流子库仑关联而引起的格子正交畸变,克服了以往的混合配对态分析中双相变点的困难.对s+id混合波Ginzburg-Landau方程的求解,给出了波函数的特征;而对外磁场下临界电流行为的分析,进一步揭示了“本征钉扎”的物理实质;从而对外场下高温超导体临界电流的反常行为及电阻-温度曲线展宽现象给出一种理解. 关键词：     

Change in the order parameter symmetry in the vicinity of the surface of a superconductor with <Emphasis Type="Italic">s</Emphasis><Subscript>±</Subscript> pairing

The behavior of the order parameter and the local density of states near the impenetrable surface have been theoretically studied in a two-band superconductor in which the gapless state with s _± symmetry of the superconducting order parameter is realized. It has been shown that, over a wide range of the parameters, the spatial behavior of the order parameter on the surface is not reduced to a standard suppression. If the probability of the interband reflection on the surface is of the order of or higher than the probability of the intraband reflection, it can be energetically more favorable to change the symmetry of the superconducting state near the surface from s _± symmetry to common s symmetry. The region of existence of the surface s-superconductivity is very sensitive to relative values of the interband and intraband pairing potentials. It has also been shown that the self-consistent calculation (i.e., with allowance made for the dissimilarity of the near-surface order parameter from the bulk value) can lead to a qualitatively different behavior of the near-surface local density of states as compared to the results of the non-self-consistent calculation.