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Effect of Jahn-Teller distortion on the exchange interactions in KCuF3. Two model studies jhn - teller畸变对KCuF3中交换相互作用的影响。两个模型研究
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90067-8
Nobuko Fuchikami, Emile L. Bominaar, Ruud Block

In an analysis of the influence of the Jahn-Teller (JT) distortion in KCuF3 on the exchange-coupling constants (ecc) along (JS ≈ -190K), and perpendicular to (JAS ≈ 0) the c-axis, two models are considered. First, a three-center, four-electron model is adopted with d(eg)- and pσ-orbitals at the cations and anion, respectively. Experimental values of ionization potentials and electron affinities are employed. The model accounts for the JT-distortion by using the induced admixtures of the eg-orbitals on the copper cations. The computations involve CI. Secondly, taking s-orbitals at all centers, we perform three-center, four-electron model calculations supplemented with two-anion non-additive exchange contributions obtained from four-center, six-electron model calculations. The latter contributions, strongly geometry dependent, account for the effect of JT-distortion on the ecc's. First-order exchange-perturbation theory is used. In the applications to KCuF3 we adopt in the two models the same orbital parameterization, based on atomic properties, with which the ecc's in the regular perovskites KMF3 : M = Mn, Co and Ni, are reproduced. The resulting values for JS and JAS agree with experiment. The vanishing value of JAS is structural in the first (pd-) model and accidental in the second (s-) model. This discrepancy is discussed.

在分析KCuF3中jhn - teller (JT)畸变对沿(JS≈-190K)和垂直于(JAS≈0)c轴的交换耦合常数(ecc)的影响时,考虑了两种模型。首先,采用三中心四电子模型,在正离子和阴离子上分别有d(eg)-和pσ-轨道。采用了电离势和电子亲和力的实验值。该模型利用铜离子上的蛋轨道的诱导外加剂来解释jt -畸变。计算涉及到CI。其次,在所有中心取s轨道,我们进行了三中心,四电子模型计算,并辅以从四中心,六电子模型计算中得到的两阴离子非加性交换贡献。后者的贡献,强烈依赖于几何,解释了jt -畸变对ecc的影响。采用一阶交换摄动理论。在KCuF3的应用中,我们采用了基于原子性质的相同轨道参数化模型,再现了常规钙钛矿KMF3: M = Mn, Co和Ni中的ecc。JS和JAS的计算结果与实验结果一致。JAS的消失值在第一种(pd-)模型中是结构性的,在第二种(s-)模型中是偶然性的。讨论了这种差异。
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引用次数: 0
Influence of initial conditions on squeezing and anti-bunching in the Jaynes-Cummings model 初始条件对Jaynes-Cummings模型中压缩和反聚束的影响
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90085-X
P.K. Aravind, Guanghui Hu

We have carried out a detailed investigation of squeezing and anti-bunching in the Jaynes-Cummings model, thereby extending the earlier work of Meystre and Zubairy [Phys. Lett. 89 A (1982) 390]. Analytic criteria are formulated relating the initial states of atom and field to the tendency of the field to undergo squeezing or anti-bunching when the atom enters the cavity. Some interesting connections are established between atomic squeezing and field squeezing/anti-bunching. Using the initial conditions suggested by our criteria, we explore the generation of non-classical states of the cavity field. The relationship of our work to other recent work on squeezing and anti-bunching in the Jaynes-Cummings model is discussed.

我们对詹尼斯-卡明斯模型中的压缩和反聚束进行了详细的研究,从而扩展了梅斯特和祖巴里[物理学家]的早期工作。[j]。建立了原子和场的初始状态与原子进入腔腔时场发生压缩或反束的倾向之间的解析判据。在原子压缩和场压缩/反聚束之间建立了一些有趣的联系。利用我们的准则提出的初始条件,我们探讨了腔场的非经典状态的产生。本文还讨论了我们的工作与最近Jaynes-Cummings模型中关于挤压和反聚束的其他工作的关系。
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引用次数: 32
Divacancies production in irradiated n-type silicon 辐照n型硅的空位产生
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90069-1
O.O. Awadelkarim

Measurements of loss factor and capacitance made on single crystals of P-doped n-type silicon are reported. Samples are irradiated with (1.00 ± 0.20) MeV electrons at temperatures <12K. The production of divacancies in the irradiated samples is monitored using hopping conductivity changes at 4.2 K. Higher divacancy production is observed in Czochralski-grown samples and samples containing appreciable concentrations of group III impurities. This suggests that oxygen and group III impurities trap the self interstitials, mobile under irradiation conditions, thus, inhibiting divacancy-self-interstitials annihilation. Effects of irradiation on the free carriers conductivity of the samples are also investigated.

本文报道了在掺磷n型硅单晶上的损耗因子和电容的测量。样品用(1.00±0.20)MeV电子在温度<12K下辐照。利用4.2 K下的跳变电导率变化监测辐照样品中空位的产生。在查克拉尔斯基法生长的样品和含有相当浓度的III族杂质的样品中观察到较高的间隙产生。这表明氧和III族杂质捕获了自间隙,在辐照条件下可移动,从而抑制了间隙-自间隙湮灭。研究了辐照对样品自由载流子电导率的影响。
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引用次数: 0
Electronic structure of CeAg CeAg的电子结构
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90071-X
S.W. Luh, T.L. Liu

The Slater-Koster interpolation method is used in combination with the standard KKR method to get a set of quickly applicable energy bands for a mixed valence intermetallic compound CeAg.

将Slater-Koster插值法与标准KKR方法相结合,得到了一组快速适用于混合价金属间化合物CeAg的能带。
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引用次数: 0
Cohesive properties in the Al-Gd system Al-Gd体系的内聚性
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90080-0
C. Colinet, A. Pasturel, K.H.J. Buschow

The standard molar enthalpies of formation of AlGd2, Al2Gd3, AlGd, Al2Gd and Al3Gd compounds were determined by dissolution calorimetry, using a calorimeter based on liquid aluminium. Experimental results are compared with model predictions. More particularly the alloy cluster Bethe lattice method has been used to analyse the chemical trend in the bonding properties of these compounds.

用溶出量热法测定了AlGd2、Al2Gd3、AlGd、Al2Gd和Al3Gd化合物的标准摩尔生成焓。实验结果与模型预测结果进行了比较。更具体地说,合金簇贝特晶格法已被用来分析这些化合物的键合性能的化学趋势。
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引用次数: 24
Experimental lifetime for the B 3Πg (v = 0) level of N2 实验寿命为B 3Πg (v = 0)水平的N2
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90086-1
M. Ortiz, A. Perez, J. Campos

Electron impact excitation followed by fluorescence induced by N2-laser absorption was used to study the lifetime of the lowest vibrational level of the B 3Πg electronic state of N2. The experimental result of this work is 13 ± 1 μs and comparison is made with recent experimental and theoretical results.

采用电子冲击激发后N2激光吸收诱导荧光的方法研究了N2的B 3Πg电子态最低振动能级的寿命。本工作的实验结果为13±1 μs,并与最近的实验和理论结果进行了比较。
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引用次数: 6
Modified version of ferromagnetic spin-wave excitations in the presence of a magnetic field 磁场存在下铁磁自旋波激发的修正版本
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90084-8
Shoichi Nagata, Shuji Ebisu, Satoshi Taniguchi

In the presence of an applied magnetic field, an energy gap exists in the spin-wave dispersion relation. As a consequence, the temperature dependence of the magnetization for ferromagnets must differ from the simple Bloch T32 law. For the first time, the modification factors have been calculated systematically.

在外加磁场作用下,自旋波色散关系中存在能隙。因此,铁磁体磁化的温度依赖性必须不同于简单的Bloch T32定律。本文首次对修正因子进行了系统计算。
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引用次数: 0
Study of the interatomic forces in the A15 superconducting compounds A15超导化合物中原子间作用力的研究
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90068-X
Vijay Baboo Gupta, H.C. Gupta

The lattice dynamics of the A15 superconducting compounds have been investigated using a model in which the interatomic forces include, in addition to central forces, the angular forces of the type employed by de Launey. This model has been applied to Mo3Si, Cr3Si and V3Si to investigate the phonon dispersion curves in the three symmetry directions of the Brillouin Zone. The force constants have been evaluated by fitting them to the measured values of the phonons at the zone centre. The calculated results are found to be in good agreement with the available experimental results. It has been inferred that the angular forces are not important for these compounds. The physical aspects for the same are discussed.

A15超导化合物的晶格动力学已经用一个模型进行了研究,在这个模型中,原子间力除了中心力之外,还包括德·劳尼所采用的那种角力。将该模型应用于Mo3Si, Cr3Si和V3Si,研究了布里渊带三个对称方向上的声子色散曲线。通过拟合声子在区中心的测量值来计算力常数。计算结果与现有的实验结果吻合较好。据推测,角力对这些化合物并不重要。对其物理方面进行了讨论。
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引用次数: 2
Dipolar polarization in a single crystal of lithium acetate measured by NMR dispersion spectroscopy 用核磁共振色散光谱法测定醋酸锂单晶的偶极极化
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90072-1
E. Crits, L. Van Gerven, S. Emid

Using a new type of NMR dispersion spectrometer we have made an extensive study of the tunnelling induced nuclear dipolar polarization effect or Haupt effect in lithium acetate single crystals. Special attention is paid to the temperature dependence and angular dependence of the Haupt effect.

利用新型核磁共振色散光谱仪对醋酸锂单晶中隧穿诱导的核偶极极化效应或Haupt效应进行了广泛的研究。特别注意了Haupt效应的温度依赖性和角依赖性。
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引用次数: 6
Contributions to the second order dielectric response of an electron liquid 对电子液体二阶介电响应的贡献
Pub Date : 1988-06-01 Epub Date: 2002-10-09 DOI: 10.1016/0378-4363(88)90073-3
Martina E. Bachlechner, Helga M. Miesenboeck, Wilhelm Macke

The dielectric response function χ of a uniform electron gas is investigated up to the second order of the Coulomb interaction with different methods. When examining all polarisation diagrams with two interaction lines, it is confirmed that previous work in the Green's function formalism does not contain all second order processes and the importance of the corrections is pointed out. It is further shown, how the evaluation of χ with Green's function can be greatly simplified when taking into account the symmetry of the expressions.

用不同的方法研究了均匀电子气体在二阶库仑相互作用下的介电响应函数χ。当检查具有两条相互作用线的所有极化图时,证实了以前在格林函数形式主义中的工作不包含所有二阶过程,并指出了修正的重要性。进一步表明,考虑到表达式的对称性,用格林函数求χ可以大大简化。
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引用次数: 7
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Physica B+C
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