Itinerant-electron metamagnetic transition and giant magnetic entropy change in La0.8Ce0.2Fe11.4Si1.6 compound

Iron-based rare-earth intermetallic compounds LaFe13?xSix (1.2≤x≤2.6) and CeFe13?xSix (2.4≤x≤2.6) both have the cubic NaZn13-type structure with Fm3c(Oh6) space-group symmetry[1―3]. Fujita et al. [4] demonstrated that the cubic NaZn13-type LaFe13?xSi     

High critical current density in powder-in-tube processed MgB2/Ta/Cu wire

The magnetization of dense MgB₂/Ta/Cu wires prepared by the powder-in-tube method is measured by a SQUID magnetometer. The results indicate that the critical temperature of MgB₂/Ta/Cu is around 38.4 K with a sharp transition width of 0.6 K. The MgB₂/Ta/Cu wire shows a strong flux pinning and the critical current density is higher than 10⁵ A/cm² (5 K, self-field) and 10⁴ A/cm² (20 K, 1 T). Also, the irreversibility field of the sample reaches 6.6 T at 5 K.     

Low-temperature magnetic properties of horse spleen ferritin

The magnetic properties of the antiferromagnetic cores in ferritin are of importance in the construction and improvement of ferritin-based magnetic resonance imaging systems and their application to environmental magnetism. In this study, we carry out integrated magnetic and transmission electron microscopy analyses of horse spleen ferritin (HoSF) to understand the relationships between the magnetic behavior of HoSF and temperature, applied field and grain-size distributions. The R-value from the Wohlfarth-Cisowski test for the investigated sample at 5 K was 0.46, indicating very weak magnetostatic interactions among the nanoparticles of HoSF. The nanoparticles of HoSF show superparamagnetic properties at room temperature, while below the blocking temperature of T _b ≈ 12 K it has a net magnetic moment that comes from the uncompensated spins of the nanoparticle surface or spin-canting. The thermal relaxation process of HoSF follows the Néel-Arrhenius expression. From low-temperature AC susceptibility data, we calculated the effective magnetic anisotropy energy E _a=(5.52±0.16)×10^?21 J; the effective magnetic anisotropy energy constant K _eff =(4.65±0.14)×10⁴ J/m³ and the pre-exponential frequency factor f ₀=(4.52±2.93)×10¹¹ Hz. These values are useful in understanding the magnetic behavior of the antiferromagnetic nanoparticles and their potential application in biomedical technology.     

Electrochemical corrosion behavior of the cobalt modified aluminide coating in 3.5 wt% NaCl solutions

In this paper, we achieved the Co modified aluminide coating on nickel base superalloys by pack cementation process. The corrosion currents(i_(corr)) of coated and uncoated substrate after 1 h of immersion tested by potentiodynamic polarization in 3.5 wt% NaCl solutions are 9.73 b × 10~(-7) A/cm~2 and 1.31 × 10~(-6) A/cm~2, respectively. With the immersion time extension, the icorrof the coating decreases and the values of |Z| by EIS increase, indicating that the electrochemical reaction rate of the coating becomes slower. The coating presents good corrosion resistance due to the Al_2O_3 formed on the surface.     

A new family of high-Tc compounds——Stepping stones toward understanding unconventional superconductivity

High-transition temperature （Tc） superconductivity was first discovered in layered copper-based oxides （cuprates） more than two decades ago, but its theoretical inter- pretation remains controversial. The main question concerning the high-Tc superconductivity phase diagram is the transition between the antiferromagnetic （AF） and superconducting （SC） phases, which is dominated by anomalous properties commonly attributed to a pseudogap in the spectrum. It is believed that the high-Tc mechanism in cuprates cannot be fully understood within the BCS theory that explains normal supercon-ductivity. Despite much effort, there is no consensus as to the origin of the pseudogap properties, and the high-Tc mechanism remains an open question.     

Surface tension and specific heat of liquid Ni<Subscript>70.2</Subscript>Si<Subscript>29.8</Subscript> alloy

The thermophysical properties of liquid alloys in me-tastable state are of importance for liquid-solid phase transformation under nonequilibrium conditions[1―10]. Sur-face tension and specific heat, two of the most important thermophysical properties, have significant influences on the process of crystal nucleation and growth. Furthermore, it is necessary to obtain these data so as to perform quan-titative research on rapid solidification[3―10]. The tradi-tional measurement methods, however,…     

Infield superconducting properties of nano-sized Ag added Cu_(0.5)Tl_(0.5)Ba_2Ca_2Cu_3O_(10-δ)

Infield superconducting properties of {(Ag)_x/CUTl-1223};(x = 0, 0.5,1.0.2.0 and 4.0 wt %) nanoparticlessuperconductor composites were investigated under different applied magnetic field up to H = 8 T. The increase in critical temperature {T_c(0)} and decrease in normal state resistivity(p_o) were observed with increasing contents of Ag nanoparticles in CuTl-1223 superconducting matrix. The value of T_c~(onset)(K) remained almost unaffected by applying external magnetic field, but a decreasing trend in T_c(0) was observed by increasing the value of external applied magnetic field. The transition region below T_c~(onset)(K) showed Arrhenius behavior due to thermally activated flow of magnetic vortices. Enhancement in flux flow activation energy(U_o) and suppression in transition width(ΔT) of CuTl-1223 phase with addition of Ag nanoparticles showed the improvement in flux pinning strength of superconductor.     

Zr50Cu50金属玻璃形成过程中自由体积与玻璃态转变温度关系的分子动力学模拟

利用分子动力学模拟了Zr50Cu50金属玻璃的形成过程,并获得了不同温度下合金的原子构型.借助金属玻璃中自由体积量等于金属玻璃与对应晶体的体积差理论提出一种自由体积湮没速度法,对Zr50Cu50金属玻璃形成过程中的临界玻璃态转变温度Tc以及热力学玻璃态转变温度Tg进行预测.用该方法确定出的Tc(969.5K)与利用模式耦合理论计算获得的Tc(978.4K)接近;Tg(731K)与利用平均原子体积随温度变化关系曲线确定的Tg(725K)相近.运用自由体积湮没速度法计算的Tc和Tg无需计算各温度下的原子扩散系数,节省了计算时间.     

Synthesis of antiferroelectric (Bi0.534Na0.5)0.94Ba0.06TiO3 ceramics with high phase transition temperature and broad temperature range by a solid-state reaction method

Antiferroelectric 0.94(Bi 0.534 Na 0.5 )TiO 3 -0.06BaTiO 3 ceramics were prepared using a solid-state reaction method, involving the addition of excessive amounts of Bi2O3 . The resulting ceramics featured a very high phase transition temperature (Tm～330°C), from the antiferroelectric to the paraelectric phase, and a low depolarization temperature (Td<25°C). The broad temperature range, within which antiferroelectric properties are retained, of the prepared materials indicates their higher potential over lead-based antiferroelectric ceramics such as PZT-based materials that exhibit a lower T m ≤170°C. The lower Td and higher T m obtained val- ues, relative to those reported in the literature, are believed to be due to the formation of A-site vacancies originating from the incorporation of excess Bi into the perovskite structure of the studied sample. In addition, the synthesized sample shows a high dielectric constant of ～1460, in a temperature range of 50-150°C at 1 kHz, and a high energy storage density of 0.71 J/cm 3 , which is an asset in energy storage capacitor applications.     

SmCoO3 的固相合成及性质

以Sm₂O₃和Co₂O₃为原料,使用高温固相反应法合成SmCoO₃正交钙钛矿化合物,采用X射线衍射、Raman谱、热膨胀仪和高温电导等测试技术对样品进行了结构和性能研究.结构分析表明,Sm₂O₃与Co₂O₃在1353K附近可以进行固态反应,形成单相性很好的SmCoO₃正交钙钛矿相.高温电导测量显示单相SmCoO₃随温度升高由绝缘体向半导体转变,Arrhenius图表明绝缘体—半导体转变点在470K附近.单相SmCoO3的热膨胀系数在873K以上为2.17×10^-5K^-1,和掺杂LaGaO₃相近,但明显大于SDC（Ce_0.85Sm_0.15O₂）的热膨胀系数.     

Kinetic study of the reaction of chlorine atoms with 3-methyl-3-buten-1-ol

The reaction of a typical unsaturated alcohol, 3-methyl-3-buten-1-ol （MBO331）, with Cl atoms, was investigated for the first time. The reaction was investigated using discharged flow-tube coupled with electron impact mass spectrometer. The experiments were performed over the temperature range of 248 K-298 K and at pressure of 1 torr in He as the bath gas. The obtained kinetic data were used to derive the Arrhenius expression： k1 = （3.47 ± 1.21） × 10^-11 exp[（ 599 ±69）/7] cm^3 molecule^-1 s^-1. Finally, atmospheric lifetimes of the MBO331 with respect to OH radicals, NO3 radicals and CI atoms have been calculated and the atmospheric implications are considered briefly.     

Giant magneto-optical faraday effect of nanometer Fe-In<Subscript>2</Subscript>O<Subscript>3</Subscript> granular films

The giant magneto-optical Faraday effect of nanometer ferromagnetic metal-semiconductor matrix Fe-ln2O3 granular films prepared by the radio frequency sputtering are studied. The result shows that the Faraday rotation angle θF value of the granular film samples with Fe volume fraction x = 35% is of the order of 10^5（°）/cm at room temperature. Temperature dependence of the Faraday rotation angle θF of Fe0.35（In2O3）0.65 granular films shows that θF value below 10 K increases rapidly with the decrease of the temperature, and when T= 4.2 K, θF value is 106（°）/cm. Through the study of the dependence of low field susceptibility on temperature and the hysteresis loops at different temperatures, it has been found that when the temperature decreases to a critical point Tp = 10 K, the transformation of state from ferro-agnetic to spin-glass-like occurs in Fe0.35（In2O3）0.65 granular films. The remarkable increase of the Faraday rotation angle θF value of Fe0.35（In2O3）0.65 granular films below 10 K seems to arise from the sp-d exchange interaction of the granular film samples in the spin-glass-like state.     

Kinetic study on the direct nitridation of silicon powders diluted with α-Si3N4 at normal pressure

Silicon nitride (Si₃N₄) powders were prepared by the direct nitridation of silicon powders diluted with α-Si₃N₄ at normal pressure. Silicon powders of 2.2 μm in average diameter were used as the raw materials. The nitriding temperature was from 1623 to 1823 K, and the reaction time ranged from 0 to 20 min. The phase compositions and morphologies of the products were analyzed by X-ray diffraction and scanning electron microscopy, respectively. The effects of nitriding temperature and reaction time on the conversion rate of silicon were determined. Based on the shrinking core model as well as the relationship between the conversion rate of silicon and the reaction time at different temperatures, a simple model was derived to describe the reaction between silicon and nitrogen. The model revealed an asymptotic exponential trend of the silicon conversion rate with time. Three kinetic parameters of silicon nitridation at atmospheric pressure were calculated, including the pre-exponential factor (2.27 cm·s^?1) in the Arrhenius equation, activation energy (114 kJ·mol^?1), and effective diffusion coefficient (6.2×10^?8 cm²·s^?1). A formula was also derived to calculate the reaction rate constant.     

CO2的温室效应饱和度分析及其大气体积分数预测模型

通过精确的LBLRTM逐线积分模式建立CO_2体积分数变化模型,分析了CO_2的温室效应饱和度,并对未来地表温升的变化趋势进行了预测.结果表明,目前CO_2的持续排放只能使其在680cm~(-1)强吸收带中心达到饱和,而在未来相当长一段时间内,其仍将通过该吸收带的翼区以及1 000cm~(-1),1 350cm~(-1)与1 900cm~(-1)等弱吸收带对地表红外辐射表现出强烈的吸收,CO_2的温室效应还远未达到饱和;如果按照当前CO_22.2(mL/·m~(-3))/a的年排放速率,CO_2的大气体积分数将会持续增加,从而造成地表温度不断升高,到2056年,地表温升将会达到2K.     

Spin-orbit coupling and zero-field splitting of the high-spin ferric enzyme-substrate complex: Protocatechuate 3,4-dioxygenase complexed with 3,4-dihydroxyphenylacetate

We used density functional calculations to investigate the electronic origins of the magnetic properties of the high-spin ferric enzyme-substrate complex protocatechuate 3,4-dioxygenase(3,4-PCD).The calculated g-tensors show that ligand-to-metal charge transfer transitions are from the protocatechuate(PCA) and Tyr408 orbitals to the Fe d orbitals,which lead to x-and y-polarized transitions.These polarized transitions require a spin-orbit coupling(SOC) matrix element in the z-direction,Lz(z=z’),resulting in a g z value of 2.0158,significantly deviating from 2.0023.A large zero-field splitting parameter value of+1.147cm-1 is due to △S =-1 spin-orbit mixing with the quartet states for the sextet ground state,accounting for around 73% of the SOC contribution.The SOC matrix elements indicate that the high-spin d 5 system Fe(Ⅲ),3,4-PCD-PCA is a weak spin-crossover compound with an SOC of 31.56 cm-1.     

Synergistically optimizing electrical and thermal transport properties of ntype PbSe

In this paper,we report that the thermoelectric performance of n-type Pb Se could be improved through synergistically optimizing electrical and thermal transport properties via Sb doping and Mg alloying.The carrier concentration was firstly optimized through Sb doping,resulting in a maximum power factor of~15.4μW cm~(-1)K~(-2)and maximum ZT of~0.9 at 873 K in Pb_(0.99)Sb_(0.01)Se.Then,Mg was selected for alloying in Pb sites to produce point defects,which can largely intensify the phonon scattering and lower thermal conductivity.After Mg alloying,the thermal conductivity at 300 K(873 K)was significantly suppressed from~4.6 Wm~(-1)K~(-1)(1.5 Wm~(-1)K~(-1))for Pb_(0.99)Sb_(0.01)Se to~2.9 Wm~(-1)K~(-1)(1.1 Wm~(-1)K~(-1))for Pb_(0.99)Sb_(0.01)Se-6%Mg Se.Through combining Sb doping and Mg alloying,a maximum ZT of~1.1 was achieved at 873 K for Pb_(0.99)Sb_(0.01)Se-6%Mg Se,and the average ZT(ZT_(ave))was increased by 28.6%from~0.42 for Pb_(0.99)Sb_(0.01)Se to~0.54 for Pb_(0.99)Sb_(0.01)Se-6%Mg Se.The results indicate that Pb Se is a robust candidate for medium-temperature thermoelectric applications.     

The impact of HS radicals on the measured rate constant of H<Subscript>2</Subscript>S with OH radicals

The rate constant for the reaction of OH radicals and hydrogen sulfide (H₂S) was studied in different bath gases (including N₂, air, O₂ and He) by using relative technique at 298 K. The small difference of the measured rate constants between N₂ and those with the presence of O₂ suggested possible influence of HS self reaction. Further experiments with NO_x presence for scavenging HS demonstrated this assumption. The rate constant of (5.48±0.12) ×10^–12 cm³ molecule^–1 s^–1 obtained with 4.09 ×10^–4 mol m₃ NO presence may be accurate for estimating the atmospheric lifetime of H2S. The results provided circumstantial evidence that the rapid reaction of HS with N₂O is suspected.     

Si衬底掺杂浓度对InGaN/Si异质单结太阳电池性能的影响

【目的】研究p-Si衬底掺杂浓度对InGaN/Si异质单结太阳电池性能的影响,为制备高效太阳电池提供理论基础。【方法】将器件的n-InGaN掺杂浓度固定为10~(16 )cm~(-3),在改变p-Si衬底掺杂浓度N_A的情况下,采用一维光电子和微电子器件结构分析模拟软件(AMPS-1D)对InGaN/Si异质单结太阳电池器件的各项性能参数进行模拟。【结果】随着掺杂浓度N_A的升高,电池的电流密度J_(SC)和填充因子FF随之升高,当到达一定高的掺杂浓度范围时(N_A5.00×10~(17)cm~(-3)),J_(SC)基本保持不变,约为28.12mA/cm~2,FF保持在0.85左右且变化不大。开路电压V_(OC)和光电转换效率E_(ff)与掺杂浓度的大小呈正相关关系,随着N_A的增大,V_(OC)、E_(ff)缓慢增大。【结论】高掺杂浓度下的太阳电池具有较好的光电转换效率。低掺杂浓度的太阳电池光电转换效率较低,这是因为其对应的尖峰势垒高度和宽度均较大,影响了光生载流子的输运。     

γ′-Fe4N纳米晶薄膜的结构及低温磁性

采用直流磁控溅射方法, 在Si(100)单晶衬底上制备γ′-Fe₄N纳米晶薄膜样品, 并利用X射线衍射(XRD)和振动样品磁强计(VSM)对样品的结构和磁性进行测试分析, 给出了比饱和磁化强度及矫顽力与温度的关系. 结果表明, 样品沿(111)晶面择优生长, 具有单一的易磁化方向, 且易磁化方向平行于（111）晶面. 随着测量温度的降低, γ′-Fe₄N纳米晶薄膜样品的比饱和磁化强度σ_s增加, 矫顽力H_c增大, 剩磁比σ_r/σ_s减小. 通过理论拟合确定了比饱和磁化强度与矫顽力随温度的变化关系, 矫顽力随温度的变化满足T^1/2规律, 比饱和磁化强度σ_s与温度不满足Bloch的T^3/2规律, 表明在80~350 K温度范围内自旋波之间存在较强的相互作用.      

Structural phase transition, optical and pyroelectric properties of lead-free single crystals

0.14 at% Mn-doped 0.95(Na_1/2Bi_1/2)TiO₃-0.05BaTiO₃ (0.95NBT-0.05BT) lead-free single crystals were grown by a top-seeded solution growth method (TSSG). X-ray powder diffraction measurement showed that the as-grown single crystals exhibit rhombohedral perovskite structure with apparent distortion. With the increase of temperature, successive structural phase transitions occur in the Mn-doped 0.95NBT-0.05BT single crystals. After poling, apparent dielectric anomaly is induced accompanied by the increase of the character of diffuse phase transition and the decrease of the value of dielectric constant. The Mn-doped 0.95NBT-0.05BT single crystals exhibit complex domain structure, in which micro and macro domains coexist with statistically 4 mm symmetry. The Mn-doped 0.95NBT-0.05BT lead-free single crystals exhibit excellent piezoelectric and pyroelectric properties, which will lead to promising advance in piezoelectric and pyroelectric applications. The infrared-absorption band occurred around 630.6 cm^?1 can be assigned to the “stretching” normal vibration of [Na_1/2Bi_1/2]/Ti-O group. The three diffused Raman bands centered around 300, 560 and 800 cm^?1 can be attributed to F2g [TiO₆] bending vibration, A1g [TiO₆] stretching vibration and “soft mode” mixed by bending and stretching vibrations.