VPd3是巡游电子弱铁磁体吗?

用自洽LMTO方法计算了VPd₃化合物(Cu₃Au结构)的电子结构及XPS谱。计算所得状态密度与Williams等人的结果是一致的。然而,与他们预言VPd₃是具有1.4μ_B磁矩的铁磁体结果不同,由电子结构算得的Stoner参量为1.04,表明它很可能是一种巡游电子弱铁磁体。这与Burmester等人在低温下未测得VPd₃有任何铁磁序的结果的分歧尚待讨论。 关键词：     

PdAu25Fe21和PdAu24Fe21Al4合金反常电磁特性的研究

PdAu₂₅Fe₂₁和PdAu₂₄Fe₂₁Al₄合金(以下简称PdAuFe,PdAuFeAl)分别在临界温度500℃和550℃产生无序—有序转变。有序相是典型的Cu₃Au型结构。有序化时合金由铁磁体转变为反铁磁体,电导率和磁化率大大减小,热电势改变符号。研究结果表明,合金反常的电磁特性起因于原子的有序排列和d带电子能态的变化。 关键词：     

含铀化合物UAl3和USn3电子结构的密度泛函研究

用第一性原理的全势能LMTO密度泛函能带计算方法研究了具有简单立方Cu₃Au 结构的含U化 合物UX₃(X=Al, Sn)的电子结构.对于重原子U的相对论效应，除了用标量相对论 加以修正 外，还加入了自旋-轨道耦合的修正.研究结果定性地说明了由于不同的交换关联电子势场的 作用，在这两种结构相同的含U合金中，U的5f电子态具有完全不同的性质，即在UAl_{3< /sub>和US n3中U的5f态分别表现为巡游扩展态和局域态行为，通过St 关键词： 铀化合物 电子态 密度泛函理论 自旋-轨道耦合}     

不同氧含量Bi2Sr2CaCu2O８+δ单晶电阻率的各向异性

精确测量了在不同氧压下退火的单晶Bi₂Sr₂CaCu₂O_8+δ(Bi2212)样品的Cu-O面内和Cu-O面外的电阻率ρ_c(T)和ρ_ab(T).发现ρ_c(T)和各向异性比(ρ_c(T)/ρ_ab(T))随着载流子浓度增加而迅速下降.在过掺杂样品中,高于120K时,ρ_c随温度线性下降,而各向异性 关键词：     

电荷对Cu2n±(n=0,1,2)分子离子的势能函数和能级的影响

用密度泛函B3LYP /LANL2DZ方法对Cu₂^n±(n=0,1,2)分子离子进行理论研究.结果表明：Cu₂，Cu⁺₂，Cu^-₂，Cu₂^2-能稳定存在，基电子状态分别是：¹Σg^＋（Cu₂），²Σg（Cu_{2关键词： 分子离子 密度泛函 势能函数 能级}     

Observation of Charge Density Wave in Layered Hexagonal Cu1.89Te Single Crystal

We report comprehensive transport, electron microscopy and Raman spectroscopy studies on transition-metal chalcogenides Cu_1.89Te single crystals. The metallic Cu_1.89Te displays successive metal-semiconductor transitions at low temperatures and almost ideal linear MR when magnetic field up to 33 T. Through the electron diffraction patterns, the stable room-temperature phase is identified as a 3 × 3 × 2 modulated superstructure based on the Nowotny hexagonal structure. The su...     

无序Cu33Y67低温电阻和磁阻中的相互作用和弱定域化

文中报道非晶Cu₃₃Y₆₇低温电阻和磁阻的测量结果。这种合金是在He气氛中以熔化-自旋技术制备的。相互作用效果可以为4.5K以下的低温电阻提供一个-T^1/2形式的贡献。在稍高的温度,其变化规律也可以通过相互作用和弱定域化的联合来解释。上至1.8T的磁阻测量揭示出一个具有自旋-轨道散射较强影响的弱定域化效果。Cu₃₃Y₆₇的磁阻测量值比弱定域化预言的大。如果把弱定域化的理论预言强度增大3倍,则可以在 关键词：     

CuTe,Cu2和Cu2Te的结构与势能函数

在Cu和Te的RECP(Relativistic Effective Core Potential)近似下,运用B3LYP方法,在LANL2DZ基组水平上对CuTe,Cu₂和Cu₂Te分子体系的结构进行优化计算.结果表明,CuTe和Cu₂分子的基电子状态分别为²Π和¹∑_g⁺,Cu₂Te分子的基态为单重态的C_2V构型,其电子状态为¹A₁.同时还计算了Cu₂Te分子基态的离解能、力常数和振动频率.采用最小二乘法拟合出CuTe和Cu₂分子Murrell-Sorbie势能函数参数.在此基础上,运用多体展式理论方法导出Cu₂Te分子基态势能函数的解析表达式,其势能面准确复现了平衡态的结构特征.     

非晶态Cu56Zr44合金的结构及其等温退火晶化过程的研究

利用X射线衍射技术、差示扫描量热分析技术和透射电子显微镜研究了非晶态Cu₅₆Zr₄₄合金的结构及其等温退火条件下的晶化过程.实验结果表明,非晶态Cu₅₆Zr₄₄合金在室温下的短程结构类似于硬球无规密堆积分布.在703K过冷液相区内等温退火时发现,当退火时间为3min时,晶化产物主要为Cu₈Zr₃相;当退火时间为6min时,Cu₈Zr₃关键词： 非晶态 56Zr₄₄合金')" href="#">Cu₅₆Zr₄₄合金 结构 等温退火     

机械合金化La0.7Ca0.3MnO3的晶化动力学及磁电阻研究

通过机械合金化方法制备了单相La_0.7Ca_0.3MnO₃化合物.球磨形成的非晶态结构在920K退火时转变为钙钛矿型相结构.根据质量作用定律,讨论了非晶晶化动力学行为,其晶化转变激活能约为265kJ/mol.同时研究了化合物的电阻特性,发现低温下样品的电阻ρ与温度T的关系为ρ∝T²,随退火温度的升高,ρ-T²曲线斜率下降.在远离居里温度处的低温磁电阻可用Δρ/ρ₀=p₁-p₂T^3/2-p₃T描述. 关键词：     

Recovery of copper alloys after neutron irradiation at low temperatures

The effects of fast neutron irradiation near 4.2°K on dilute Cu, Cu₃Au, α-CuZn, β-CuZn and CuNi alloys were studied by electrical resistivity measurements. For Cu₃Au, the recovery stage at ～ 100°K becomes more distinct with increasing long-range order, and is attributed to migration of interstitials. The ratio of the number of replacements to the number of displacements (C _R /C _F ) is estimated to be about 50 for neutron irradiation, in contrast to the previously reported value of ～2 for electron irradiation. For α-CuZn, a large recovery stage at ～150°K is found and attributed to annihilation of interstitids whose migration produces ordering. For β-CuZn, migration of interstitials also produces ordering. It is also suggested that in β-CuZn, the ratio C _R /C _F is larger for neutron irradiation than for electron irradiation as in the case of Cu₃Au. The results on CuNi alloys are presented without explanation.     

Ion-beam induced mixing of Cu/Au bilayer thin film (kinematics and formation of solid solutions)

Ion-beam induced atomic mixing of Cu/Au bilayer thin film is studied using combined electrical resistivity measurements and Rutherford Backscattering Spectrometry (RBS). 400 keV Kr⁺ ion irradiation with fluences ranging from 3.3×10¹⁵ to 7.6×10¹⁶ ions/cm² at room temperature have been used. Ion beam mixing lead to a uniformly mixed metal alloy. The formation of Cu/Au solid solutions depends on the initial composition and on the fluence of irradiating ions. For an initial composition of Cu₄₂Au₅₈, a Cu-rich solid solution of composition Cu₇₂Au₂₈ is formed after irradiation with 7.6×10¹⁶ ions/cm². The kinematics of the intermixing process is also studied by in situ electrical resistivity measurements which confirmed the formation of the Cu/Au solid solutions.     

Hall Mobility of As‐Grown Cu2O Thin Films Obtained Via Electrodeposition on Patterned Au Substrates

Hall measurement of an electrodeposited Cu₂O film is rendered difficult as the bilayer structure of semiconductor on top of a conductive substrate obviates the measurement. Here, we propose the use of a patterned Au on glass substrate in line/space configuration for the Hall measurement of electrodeposited Cu₂O. A continuous, (111) oriented Cu₂O film was electrodeposited on 8 μm/2 μm Au‐line/space on glass substrate and Hall measurement was performed. The room temperature Hall measurement of the Cu₂O film on the patterned substrate indicates p‐type conduction with a hole concentration of 2.2 × 10¹⁷ cm^?3 and mobility of 4.7 × 10^?3 cm² V^?1 s^?1. Additionally, the temperature dependent resistivity exhibits a negative slope that is characteristic of a semiconductor. Therefore, the measured electrical characteristics can be attributed to the electrodeposited Cu₂O semiconductor film rather than the conductive substrate. This method can be applied for the Hall measurement of any other electrodeposited semiconductor by optimizing the line/space geometry of the conductive substrate.     

Effect of severe plastic deformation on the electronic properties of the Cu<Subscript>72</Subscript>Au<Subscript>24</Subscript>Ag<Subscript>4</Subscript> alloy

The electrical, magnetic, and optical properties of the Cu₇₂Au₂₄Ag₄ ternary alloy in the ordered and disordered states have been studied by the method of severe torsional plastic deformation under pressure in Bridgman anvils. It has been shown that, as a result of this deformation, the residual electrical resistivity of the alloy increases by approximately 11% and the magnitude of the negative thermopower decreases. The high diamagnetic susceptibility of the alloy has been explained by a significant role of charge carriers with the effective mass considerably smaller than the free-electron mass. The behavior of the optical conductivity has been discussed with due regard for the results of energy-band calculations. The experimental data obtained for the Cu₇₂Au₂₄Ag₄ alloy have been compared with the results of similar studies of the Cu₃Au binary alloy.     

Effect of ion irradiation induced defects on the excess conductivity of Cu1−xTlxBa2Ca1Cu2O8−δ superconductor thin films

The Cu_1?xTl_xBa₂Ca₁Cu₂O_8?δ superconductor thin film samples were bombarded with protons, Si and Au ions of energies 6, 20 and 20 MeV respectively using 5MV tandem pelletron accelerator at Experimental Physics Labs. Each un-irradiated sample had different values of normal state resistivity and the zero resistance critical temperature. The zero resistivity critical temperature has been increased after the irradiation by Si and Au ions. The fluctuation induced conductivity (FIC) analysis of the as-prepared and the ion irradiated samples were performed in the light of Aslamasov–Larkin (AL) theory. The FIC analysis has shown three dimensional (3D) fluctuations in the order parameter in all the samples along with a cross-over to two dimensional (2D) fluctuations at higher temperature. The 3D–2D cross-over temperature has been shifted to higher values after the ion irradiation. Moreover, a direct correlation between the zero resistivity critical temperature, 2D–3D cross-over temperature (T_LD) and superconductivity fluctuation temperature (T_scf) was observed. These studies have shown that the fluctuation induced conductivity (excess conductivity) depends on the density of defects and is independent of their nature.     

Active oxidation of Cu3Au(1 1 0) using hyperthermal O2 molecular beam

Oxidation of Cu₃Au(1 1 0) using a hyperthermal O₂ molecular beam (HOMB) was investigated by X-ray photoemission spectroscopy in conjunction with a synchrotron light source. From the incident energy dependence of the O-uptake curve, the precursor-mediated dissociative adsorption occurs, where the trapped O₂ molecule can migrate and dissociate at the lower activation-barrier sites, dominantly at thermal O₂ exposures. Dissociative adsorption of O₂ on Cu₃Au(1 1 0) is as effective at the thermal O₂ exposure as on Cu(1 1 0). On the other hand, at the incident energies of HOMB where the direct dissociative adsorption is dominant, it was determined that the dissociative adsorption of O₂ implies a higher activation barrier and therefore less reactivity due to the Au alloying in comparison with the HOMB oxidation of Cu(1 1 0). The dissociative adsorption progresses with the Cu segregation on Cu₃Au(1 1 0) similarly as on Cu₃Au(1 0 0). The growth of Cu₂O for 2 eV HOMB suggests that the diffusion of Cu atoms also contribute to the oxidation process through the open face, which makes the difference from Cu₃Au(1 0 0).     

Crystal-field induced anomalies in the thermoelectric power and electrical resistivity of amorphous cerium alloys

The amorphous alloys Ce₇₂Cu₂₈, Ce₈₀Au₂₀ and Ce₈₉Al₁₁ exhibit a pronounced maximum in the thermoelectric power near 50 K, together with a step-like increase of the electrical resistivity. This is interpreted in terms of a model invoking Kondo scattering from the cerium 4f states split by the local crystal fields of the amorphous matrix. The data for the alloys with Cu and Au indicate a narrow distribution of the overall crystalfield splittings. This hints at a rather uniform structural short-range order.     

Thermodynamical properties and defect energetics of an n-body potential adapted to Cu3Au

By using molecular statics, molecular dynamics, and Monte Carlo techniques we validate a previously developed empirical n-body potential adapted to Cu₃Au. At T=0 K, predicted cohesive energies, lattice parameters, and elastic constants in CuAu and CuAu₃ as well as the formation energy of vacancies in Cu₃Au are in good agreement with experimental data. A satisfactory behavior is also obtained at T 0 K in Cu₃Au, for atomic mean-square displacements and elastic moduli. However, this model underestimates the vacancy migration energy and the order-disorder critical temperature when the latter is evaluated by Monte Carlo including both exchanges between atoms of different species and atomic moves simulating vibrations.     

Andreev states and the Josephson effect in superconducting heterojunctions on thin YBa2Cu3Ox films

Conductance anomalies at low bias voltages and superconducting currents in Au/YBa₂Cu₃O_x and Nb/Au/YBa₂Cu₃O_x heterojunctions in which the c axis of the YBa₂Cu₃O_x (YBCO) epitaxial film is rotated in the (110) YBCO plane through 11° with respect to the normal to the substrate plane were studied experimentally. The films were prepared by laser deposition onto (7 2 10)-oriented NdGaO₃ substrates. The current-voltage characteristics of the heterojunctions exhibit conductance anomalies at low voltages. The behavior of these anomalies is studied at various temperatures and in various magnetic fields. The critical current and Shapiro steps observed in the current-voltage characteristics of Nb/Au/YBa₂Cu₃O_x were evidence of the Josephson effect in these heterojunctions. The experimental results are analyzed in terms of the model of the arising of bound states caused by Andreev reflection in superconductors with d-type symmetry of the superconducting order parameter.