Observation of insulating–insulating monoclinic structural transition in macro‐sized VO2 single crystals [Phys. Status Solidi RRL 5, No. 3, R107–R109 (2011)]

In our article, we reported the observation of monoclinic M2 to M1 structural phase transition in VO₂ single crystal near the temperature of ～49 °C. However, the re‐examination of Laue patterns reveals that previously defined monoclinic M1 and M2 phases can be interpreted as monoclinic M2 and triclinic T phases instead. Careful experimental geometry calibration and further refinement of the lattice parameter ratios and angles show that monoclinic M2 and triclinic T phases fit better with the experimental data. On the other hand, our previous misidentification of the insulating phases does NOT affect the conclusions of our article. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Effect of spin–orbit coupling on spin transport at graphene/transition metal interface

In spite of large spin coherence length in graphene due to small spin–orbit coupling, the created potential barrier and antiferromagnetic coupling at graphene/transition metal (TM) contacts strongly reduce the spin transport behavior in graphene. Keeping these critical issues in mind in the present work, ferromagnetic (Co, Ni) nanosheets are grown on graphene surface to elucidate the nature of interaction at the graphene/ferromagnetic interface to improve the spin transistor characteristics. Temperature dependent magnetoconductance shows unusual behavior exhibiting giant enhancement in magnetoconductance with increasing temperature. A model based on spin–orbit coupling operated at the graphene/TM interface is proposed to explain this anomalous result. We believe that the device performance can be improved remarkably tuning the spin–orbit coupling at the interface of graphene based spin transistor. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Growth of fcc(111) on bcc(110): Influence of growth and annealing temperature on epitaxy and surface morphology for Pd on Cr

The effects of growth versus annealing temperature on epitaxial relationship and surface morphology were studied for Pd(111) films on Cr(110) surfaces. While the epitaxial orientation of the Pd films depends on film thickness as well as on growth temperature, subsequent annealing has no effect on the epitaxial orientation. Instead, additional annealing of room temperature grown films takes the surface morphology from an island to a terrace shape, which was not observed for samples directly grown at elevated temperatures. These different effects that growth and annealing temperature have, help understanding the resulting structure and morphology of the heteroepitaxial system.     

金属Zn液态结构变化的研究

利用ＴＢ模型给出的原子间相互作用势详细计算了不同温度下Ｚｎ的双体分布函数ｇ（ｒ），结果发现随着温度的不断降低，液态金属Ｚｎ的ｇ（ｒ）第一峰变得高而尖，第二峰由弱变强，说明了液态金属Ｚｎ的有序度随温度降低而不断增强；利用键对分析技术统计了液态金属Ｚｎ在不同温度下的键取向序参数、键对数。键取向序参数及键对数随温度的变化，进一步证明了低温液态的有序度高于高温液态，从而充分说明液态金属在不同温度下有不同的结构形式，而不像人们想象得那样杂乱无章。     

Decay Time of 2.09 eV Luminescence of S2--Vacancy Centers and Their Optical and Thermal Stability in NaCl:S2 Crystals

An investigation was carried out on decay time of the 2.09 eV emission of S²–vacancy pair centers in NaCl crystals. When the crystal was excited by a pulsed 337 nm light from an N₂ laser, the 2.09 eV yellow luminescence principally decayed with the lifetime of 14.2 μs at low temperatures, and exhibited a weak thermal quenching with an activation energy of 51.3 meV above about 150 K. Such S^2--vacancy pair centers responsible for the 2.09 eV luminescence were thermally stable at room temperature, and not bleached even when exposed to ultraviolet lights below about 5 eV. Thus, the 2.09 eV emission center possibly can be used as a solid-state laser active center working at room temperature.     

金属Fe与间隙H原子相互作用的密度泛函研究

采用基于密度泛函理论的第一性原理方法, 研究了不同摩尔比下H在α-Fe和γ-Fe晶格中的间隙占位情况, 计算了稳态晶体的总能量、结合能、溶解热、电子态密度、电荷差分密度和电荷布居, 分析了间隙H原子和Fe晶格之间的相互作用, 讨论了H溶解对α-Fe和γ -Fe晶体电子结构的影响. 结果表明: H溶解引起α-Fe和γ-Fe晶体点阵晶格畸变, 体积膨胀率随着溶氢量的增加而增加. 从能量角度分析发现, H优先占据α-Fe的四面体间隙位, 而在γ -Fe中优先 占据八面体间隙位. 态密度、电荷差分密度以及电荷布居分析发现, 间隙H原子与Fe晶格的相互作用仅由H的1s轨道电子和Fe的4s轨道电子所贡献, 二者作用力相对较弱, 这是造成H在Fe晶格中固溶度较低的主要原因之一. 关键词： 金属Fe 间隙H原子 第一性原理 溶解热     

氢化物发生辅助溶液阴极辉光放电光谱技术检测水体中痕量汞和锡

溶液阴极辉光放电技术作为一种新型的光谱检测技术,被广泛应用于环境污染物的分析和检测等方面.虽然该技术具有结构简单以及成本低等优势,但是在重金属检测方面,其灵敏度还有待提高.针对上述问题,搭建了氢化物发生-溶液阴极辉光放电光谱测量系统,实现了对水体中痕量汞(Hg)和锡(Sn)的简单高效检测.为了得到更优的检测效果,实验选...     

电感耦合等离子体发射光谱测定植物精油中的重金属元素

植物精油是从芳香植物提取的天然复杂化合物,作为芳香植物的次生代谢产物具有挥发性和浓郁香味,其特有的多样化生物活性广泛应用于医药和化妆品行业.植物精油具有高渗透性,能以活跃的分子态渗透皮肤组织,经淋巴腺吸收后进入血液,其所含的重金属元素也极易随植物精油进入人体对健康构成潜在威胁.采用硝酸-双氧水对植物精油进行微波消解,在...     

高压下FCC相金属氢结构稳定性和非谐效应的理论研究

利用第一性原理分子动力学方法研究金属氢体系的非简谐效应, 给出金属氢的声子谱, 讨论金属氢声子谱的温度效应。计算得到氢的同位素氕、氘和氚的FCC相在非零温下的声子谱, 不同温度下的声子谱对比发现零温下3.6 TPa为热力学稳定的临界压强点, 而有限温度下(100 K)临界压强点降到2.8 TPa, 非简谐效应显著地改变了体系的结构稳定性和声子振动性质。     

含氘电极真空弧等离子体空间分布特性诊断研究

真空弧放电等离子体含有多种离子成分,并且各离子在空间上具有不同的分布规律.本文针对金属氘化物电极真空弧离子源,搭建了一台紧凑型磁分析装置,用来研究放电等离子体中氘离子与金属离子的空间分布.当离子源弧流为100 A左右时,该装置能有效地传输引出束流,并且具有较好的二次电子抑制效果,可准确获得各离子流强.利用该装置测量并获得了氘化钛含氘电极真空弧放电等离子体内氘离子和钛离子空间分布规律,结果表明:径向上,氘离子和钛离子都呈高斯分布,但氘离子分布均匀,而钛离子相对集中在轴线附近,导致轴线附近氘离子比例最低;轴向上,所有离子数量都以自然指数函数减少,而且相对幅度接近,所以氘离子比例几乎不变.本文研究结果不仅有助于理解真空弧放电等离子体膨胀过程,还可以指导金属氘化物电极真空弧离子源及其引出设计.