压力下CeSb晶体的导电特性研究

在4.2—273K 温区内,0—14 Kbar 压强下,测量了 CeSb 单晶的电阻率.计及 P-f 互作用随温度的变化,我们在理论上计算了与压强有关的 CeSb 磁性电阻率,并将计算结果与实验值比较.     

Au1-xNix合金(x=0.30-0.42)低温电阻率极小值的机理探讨

为了解释Au_1-xNi_x合金(x=0.30—0.42)低温出现电阻率极小值的实验结果,本文提出一个低浓度自旋集团顺磁态合金的模型,得到自旋集团孤立近似下和自旋集团耦合作用下的电阻率公式,并和晶格散射的贡献(由Au₈₀Ni₂₀合金或Au-Cu合金的ρ_i(T)实验数据代替)联合起来,得到ρ(T)的计算曲线,和实验结果符合得很好。当Tmin,电阻率随温度增高而下降,主要是自旋集团孤立近似下的Kondo效应引起的。自旋集团之间的RKKY耦合作用对电阻率的贡献在低温时大,随着温度增高按1/T规律迅速减小,所以ρ(T)-ρ_i(T)实验值在相当宽温度范围出现logT关系。随着温度增高,晶格散射对电阻率的贡献将变得重要,当T=T_min,电阻率出现极小值。 关键词：     

高压下TiAl3结构及热动力学性质的第一性原理研究

采用平面波赝势密度泛函理论研究了钛铝系金属间化合物TiAl₃的结构性质, 计算值与实验值及其他理论值相符合. 通过准谐德拜模型研究了TiAl₃的热动力学性质, 计算得到了相对体积(V/V₀)与压强和温度的关系, 以及不同温度和压强下的热膨胀系数和热容. 与TiAl的计算结果进行对比, 发现随着温度的升高, TiAl的热膨胀系数增大的速度高于TiAl₃, 且随着压强的增大温度效应减弱; TiAl₃的热容值近似为TiAl的热容值的2倍. 关键词： 结构性质 热动力学性质 第一性原理 高压     

高温高压下合金碳化物Fe3Mo3C热力学性质的第一性原理计算

基于平面波赝势密度泛函理论的第一性原理与准谐德拜模型结合的方法研究了高温高压下合金碳化物Fe₃Mo₃C的热力学性质.在压强范围为0～40 GPa和温度范围为0～1200 K的条件下,Fe₃Mo₃C的体积比V/V₀、体弹性模量B和德拜温度θ受压强的影响比温度更大.温度一定时,体弹性模量和德拜温度随压强的增大而迅速增大. Fe₃Mo₃C的热容C_v、熵S以及热膨胀系数α受温度的影响较压强更大.压强一定时,材料的热容、熵以及热膨胀系数均随温度升高单调增大,其中,热容和热膨胀系数随温度先快速上升后趋于平缓,最后热容接近于Dulong-Petit极限.     

Fe的结构与物性及其压力效应的第一性原理计算

采用基于密度泛函理论的平面波赝势方法，计算了Fe的几种不同晶体结构的总能量曲线，对HCP结构下晶体结构参数c/a随压强的变化关系做计算分析. 能量计算精度取为0.01 eV/atom. 计算得出： 1) 零温下Fe从bcc到hcp结构的相变压强约为15 GPa，与实验结果相一致； 2) 压强的升高会导致Fe的磁矩减小，最终破坏Fe的磁性； 3) 压强升高引起hcp晶体结构参数c/a缓慢增大，而在地核压强(135—360 GPa)范围内，c/a取常量约1.59能够满足计算精度的要求. 关键词： 第一性原理计算 压力效应 Fe的结构与物性     

非晶态(Fe1-xWx)84.5B15.5合金的低温电阻率反常

研究了(Fe_1-xW_x)_84.5B_15.5(x=0—0.1)非晶态合金的电阻率ρ与温度T(4.2—300K)的关系。实验结果表明,在所研究浓度区域内均出现电阻率与温度关系的极小值,电阻率极小值的温度T_min在x=0.06时出现峰值。用x=0.02—0.1浓度区域内,当Tmin时,又出现了电阻率与温度关系的极大值,电阻率极大值的温度T_max在26—35K之间。低温电阻率反常现象与类Kondo效应及局域磁矩之间RKKY相互作用有关。 关键词：     

ZrV2结构、弹性和热力学性质的第一性原理计算

采用基于密度泛函理论的第一性原理平面波赝势方法研究ZrV₂的晶体结构和弹性,利用准谐Debye模型计算在不同温度(T=0~1200 K)和不同压强(P=0~20 GPa)下ZrV₂的热力学性质,包括弹性模量与压强,热熔与温度,以及热膨胀系数与温度和压力的关系.结果表明:计算的ZrV₂晶格常数与实验值符合较好,晶体材料的弹性常数随着压力增加而增加;在一定温度下,相对体积、热熔随着压强的增加而减小,德拜温度、弹性模量随着压强的增加而增加,且高压下温度对ZrV₂热膨胀系数的影响小于压强的影响.     

PrNi$lt;sub$gt;2$lt;/sub$gt;的磁和磁热性能研究

在一些磁性材料内, 磁性离子间交换作用和磁性离子的自旋涨落对材料磁性有影响. 本文根据磁比热实验值确定了晶场参数后, 利用包含自旋涨落的交换作用有效场H_m= n₀ (1 + γ T + β e^{ω T})M, 计算了PrNi₂晶体晶场能级的Zeeman劈裂. 在温度为3.8 K ≤T≤ 30 K范围内, 计算了该晶体多晶磁矩随外磁场的变化, 以及外磁场H=5000 Oe时磁化率倒数随温度的变化, 计算结果和实验值符合较好. 当外磁场在0–50000 Oe时, 计算的该晶体的磁熵变与已有文献的理论结果相似. 计算结果说明, 提出的包含自旋涨落的交换作用有效场不仅适合亚铁磁性晶体, 而且也适合顺磁性晶体. 关键词： 2')" href="#">PrNi₂ 磁比热 交换作用有效场 磁矩 磁熵变     

磁性多层膜磁特性的表面效应

利用Monte-Carlo方法和转移矩阵法研究了具有不同表面交换耦合J_s和薄膜厚度 磁性多层 膜的表面和尺寸对磁相变的影响.模拟结果表明，系统的相变温度随薄膜层数的变化取决于J_s/J(J为体内交换耦合)，当J_s/J大于某一临界值时，由于表面磁 有序先于体内磁有序 ，系统的相变温度随薄膜层数的增多而降低，反之，表面磁无序可与体内磁有序共存，系统 的相变温度随薄膜层数的增多而升高；当J_s/J较小时，随J_s增大 ，系统的居里温度缓慢 升高，趋近于体内相变温度，而当J_s/J较大时，随J_s增大，系统的 居里温度 呈线性升高.模拟结果与用转移矩阵法推导出的结果相当符合，且很好地解释了实验事实. 关键词： 磁星多层膜 交换耦合 Monte-Carlo模拟 转移矩阵法     

氢对非晶态Y5Ni95合金膜的磁性和电子输运性质的影响

采用电解法实现了非晶态Y,Ni₉₅合金的加氢。在1.5—400K温度范围内测量了a-Y,Ni₉₅H_x(x=0—15.1)合金的磁矩、电阻率和霍耳电阻率随氢含量的变化关系。结果指出,随氢含量增加,样品的0K磁矩、居里温度和电阻率温度系数显著下降,而高场磁化率、电阻率和反常霍耳系数则迅速增加。借助现行的理论对加氢引起的上述影响进行了简要的讨论。 关键词：     

Measurements of the CeAl2 and LeAl2 resistivities under pressure: Variations of the Kondo effect and of the crystalline field of cerium

The electrical resistivity of CeAl₂ and LaAl₂ compounds has been measured in the 1.3–300°K temperature range and under pressure up to 15 kbar. The pressure dependence of the magnetic CeAl₂ resistivity has been accounted theoretically by the influence of the crystalline field on the Kondo effect, the latter varying under pressure, because of the decrease of the distance between the 4f level and the Fermi level.     

Unexpected behaviour of YbCu4.5 at very high pressures

We report resistivity measurements of the heavy fermion compound YbCu_4.5 for pressures up to 23.5 GPa. Although the temperature dependence of the resistivity in general does not change compared to previous results at lower pressures, surprisingly the temperature of the Kondo resistivity maximum increases with pressure at pressures exceeding 12.5 GPa. At the highest pressure of 23.5 GPa the resistivity was measured down to 50 mK. No trace of magnetic order, i.e. any anomaly in the resistivity behaviour has been found at this highest pressure reached.     

Correlation of electrical, magnetic, and thermal properties of the La0.85Ag0.15MnO3 manganite near the phase transition temperature

The correlation between electrical, magnetic, and lattice properties of manganites has been studied by analyzing the temperature dependence of the electrical resistivity of the La_0.85Ag_0.15MnO₃ manganite. The results have been discussed within the model of a phase-separated manganite in terms of the percolation theory. It has been shown that, from analyzing the temperature and magnetic field dependences of the electrical resistivity, it is possible to predict the behavior of the magnetization and specific heat, as well as the change of magnetic entropy near the phase transition temperature, and that the obtained agreement with experimental data for this analysis is quite reasonable.     

A study of the temperature and pressure dependence of the electrical resistivity of a dilute Cr-Ge system

The electrical resistivity of a series of dilute Cr-Ge alloys containing up to 1.5 atm % Ge, was measured as a function of temperature and pressure. The measurements clearly demonstrate the existence of resistivity anomalies at the incommensurate-commensurate spin density wave transition temperature (T_IC) in contrast with recently reported results. The complete magnetic phase diagram, determined for the first time from electrical resistivity measurements, contains a triple point in contrast with previous neutron diffraction results but in agreement with thermal expansion measurements. It was found that the incommensurate spin density wave state is absent in alloys with more than 1 atm % Ge. The Néel temperatures and incommensurate-commensurate transition temperatures are affected differently by pressure. Pressure decreases T_N in all the alloys while it increases T_IC for those alloys in which the incommensurate-commensurate transition occurs. The decrease of T_N with pressure is much larger for the commensurate-paramagnetic than for the incommensurate-paramagnetic transition. The electrical resistivity of the alloys at room temperature behaves anomalously with applied pressure. This anomalous behaviour is attributed to an antiferromagnetic-paramagnetic phase transition that is induced in the alloys by applied pressure.     

Effects of pressure and magnetic field on the electrical resistivity of La0.8Ba0.2MnO3 in rhombohedral and orthorhombic phases

A structural transition from the orthorhombic phase to the rhombohedral one is observed and investigated on a La_0.8Ba_0.2MnO₃ single crystal. In the region of the coexistence of two phases, the effects of magnetic field (up to 12 T) and hydrostatic pressure (up to 5 kbar) on the temperature dependences of the electrical resistivity are studied. It is shown that magnetic field and pressure reduce the transition temperature and produce qualitatively similar effects on the electrical resistivity in the region of the structural transition.     

压力对巨磁阻材料La2/3Ca1/3MnO3+δ物性的影响

 研究了不同含氧量LaCaMnO的压力效应,发现随压力的增加富氧样品电阻率的变化和相变温度的改变都比较小。同时还对照研究了压力与磁场对材料的影响,发现压力对整个温区的电阻都有明显的影响,而磁场仅对相变温度附近温区有明显的影响,这从实验上证实了两者有着不同的作用机制。     

Transport properties in the pseudobinary (Gd,Y) Al2 series

The temperature dependence of the electrical resistivity, the thermal conductivity and the thermopower of the cubic isostructural (Gd_xY_1–x)Al₂ series will be presented. The magnetic properties of this system are characterized by the existence of ferromagnetism for Gd concentrations x>0.3 while for low Gd contents cluster and spinglass behaviour is observed. The spin dependent scattering contribution to the transport phenomena has been obtained by comparing the experimental data of the magnetic compounds with those of the isostructural nonmagnetic YAl₂. For the ferromagnetic concentration range and forT>T _c (T _c =Curie temperature) we revealed a temperature independent contribution to the electrical resistivity, a contribution with a temperature variation of 1/T to the thermal resistivity and a linear temperature dependence of this part to the thermopower. These results are in good agreement with the temperature dependence calculated by solving the linearized Boltzmann equation for this type of scattering processes.     

Exchange splitting of acceptor states in semimagnetic-semiconductors: Magnetoresistance studies of Cd1-xMnxTe

Measurements of resistivity as a function of temperature and magnetic field in p-Cd_1-xMn_xTe are reported. A negatove magnetoresistance has been found and shown to originate from the magnetic field induced lowering of the acceptor binding energy. It is demonstrated that the experimental results can be quantitatively described if two effects are taken into account: (i) orbital quenching of the p-d exchange splitting of the four-fold degenerate acceptor level, (ii) destructive effect of a magnetic field on a contribution to the binding energy given by thermodynamical fluctuation of magnetization.     

The low-temperature minimum of the resistivity of La<Subscript>0.85</Subscript>Ag<Subscript>0.15</Subscript>MnO<Subscript>3</Subscript> manganite

The low-temperature minimum of the La_0.85Ag_0.15MnO₃ resistivity has been investigated. The analysis of the experimental data shows that this minimum of resistivity in zero magnetic field and the large magnetoresistive effect, which increases with a decrease in temperature, can be explained within the model of spin-polarized tunneling of carriers through grain boundaries.