SrMn0.5Fe0.5O3的自旋玻璃态和过渡金属离子价态的研究

采用固相反应法制备了SrMn_0.5Fe_0.5O₃陶瓷样品,并对样品的晶体结构,磁性和离子价态进行了系统的表征与分析. X射线衍射谱的Rietveld拟合表明样品属于理想的立方钙钛矿型结构,Mn离子和Fe离子随机占据B位的O八面体中心. X射线光电子能谱表明Mn离子为+3和+4的混合原子价态,Fe离子为+3价. 样品在大于230K的高温区域呈现Curie顺磁特性,在小于230 K的低温区域样品表现出自旋玻璃态行为,这种特性源于Mn离子和Fe离子之间的交换作用及自身价态和分布的不均匀性. 由于Fe³⁺离子占据O八面体的中心,对顺磁区的Mssbauer谱测量表现为四级分裂. 关键词： 晶体结构 价态 顺磁 自旋玻璃态     

Fe掺杂对自旋梯状化合物Sr14(Cu1－yFey)24O41的结构和电输运性质的影响

采用常规的固相合成法分别制备了Fe³⁺掺杂和2/3Fe³⁺+1/3Fe²⁺混合Fe离子掺杂的两组Sr₁₄(Cu_1-yFe_y)₂₄O₄₁系列样品.X射线衍射分析显示，当Fe³⁺离子的掺杂量y≤0.03以及2/3Fe³⁺+1/3Fe²⁺混合Fe离子掺杂量y≤0.02时，样 关键词： 强关联电子系统 自旋梯状结构化合物 晶体结构 电输运性质     

Al与α-Fe2O3纳米界面铝热反应的从头计算分子动力学研究

在正则系综统下,温度为2000 K时,利用基于密度泛函理论的第一性原理分子动力学计算方法对Al与赤铁矿α-Fe₂O₃的铝热反应进行了研究. 模拟得出Fe–O键的数量随着时间的增加而减小,Al–O键和Fe–Fe键的数量随时间的增加而增大;同时Fe离子总的电荷量随时间的增加而减小,而Al离子总的电荷量随时间的增加而增大. 模拟结果表明,在Al/Fe₂O₃铝热反应中发生了氧化还原反应,Al被氧化,Fe离子被还原;在界面处生成Al–O键,Fe–O键发生断裂;氧化还原反应完成需约3 ps. 关键词： 铝热反应 密度泛函理论 分子动力学 正则系综     

Fe3+、Ce3+共掺杂γ-LiAlO2的发光性质

采用不同于传统固相反应法的制备方法合成了Fe,Ce 共掺杂γ-LiAlO₂。通过XRD和 SEM分析表明,采用这种方法能够成功获得尺寸小于10 μm的四方相结构γ-LiAlO₂荧光粉。从γ-LiAlO₂ ∶ Fe,Ce 的激发和发射光谱可以看出,通过引入少量的铈离子,我们首先发现了铈离子掺杂对样品的发光效率有明显的影响。并且随着铈离子浓度的增加,其发光效率也出现规律性的变化,而且发射光谱在Ce离子摩尔分数达到1.5%的情况下发光效率最强,当Ce离子摩尔分数达到3％时,发光效率明显下降。这种高效的荧光粉作为转光剂应用于人工植物照明和农用转光膜具有积极的意义。     

Fe位Al掺杂对Sr2FeMoO6磁结构和磁输运性质的影响

研究了Sr₂Fe_1-xAl_xMoO₆(0≤x≤0.30) 系列多晶样品的磁学和输运性质.室温X射线衍射谱图的精修结果显示Al³⁺掺杂没有改变样品的晶格结构，但提高了Sr₂FeMoO₆晶格的阳离子有序度.5K时样品的磁化曲线说明平均单位分子饱和磁矩随着Al含量的增加而下降，但平均单位Fe离子磁矩却逐渐提高.磁化曲线的拟合结果显示样品内反铁磁相互作用对饱和磁矩的贡献随着Al含量的增加而下降，说明一定量的Fe离子被Al替代后，抑制了样品内Fe—O—Fe反相边界的形成，从而提高了Sr₂FeMoO₆晶格的阳离子有序度和平均单位Fe离子磁矩.对饱和磁矩的分析表明非磁性Al³⁺离子掺杂会形成无磁相互作用的Mo—O—Al—O—Mo区，可以将原来较大的Mo—O—Fe亚铁磁区分割成许多小的区域，并且使这些亚铁磁区间的磁耦合作用变弱，从而提高了低场磁电阻效应.阳离子有序度的提高使来源于自旋相关电子在反相边界处散射的高场磁电阻明显降低，导致了样品的磁电阻在x=0.15时达到了最大值. 关键词： 2FeMoO₆')" href="#">Sr₂FeMoO₆ 掺杂 磁结构 磁输运性质     

非晶态合金Fe87V3Zr10的吸氢现象

用二次离子质谱(SIMS)和穆斯堡尔谱研究了非晶态合金Fe₈₇V₃Zr₁₀的吸氢现象实验表明,H优先与Zr形成ZrH原子团,亦有部分H分别与V和Fe形成VH和FeH原子团。对吸氢影响该合金磁性的主要原因进行了分析。 关键词：     

Ho2Fe14B化合物的高场磁化过程

基于单离子模型,详细分析了Ho₂Fe₁₄B化合物在T=0K沿[100],[110]和[001]轴磁化时,Ho和Fe次晶格的磁化过程。预测了该化合物在T=0K高达2000 kOe的磁场中沿主晶轴的磁化曲线。 关键词：     

Y1-xCaxBa2Cu3-xMxO7-δ (M=Fe,Ni)体系的超导电性

本文报道,通过对Y_1-xCa_xBa₂Cu_3-xMxO_7-δ(M=Fe,Ni)体系样品的晶体结构、氧含量、正常态电阻率与温度的关系,以及超导转变温度等测量,并与YBa₂Cu_3-xMxO_7-δ(M=Fe,Ni)体系进行比较,发现Y_1-xCa_xBa₂Cu_3-xFe_xO_7-δ体系的T_c显著地高于相应x值的YBa₂Cu_3-xFe_xO_7-δ体系,而Y_1-xCa_xBa₂Cu_3-xNi_xO_7-δ体系则相反,T_c低于仅Ni替代的体系,表明Ca和Fe同时替代时两者引起的载流子浓度(n_H)变化相互补偿,抑制了仅Fe替代时引起的n_H和T_c急剧下降;而作Ca和Ni同时替代时主要的不是两者引起载流子浓度变化的相互补偿,Ca和Ni替代效应之间的关联较弱。作者认为,对Y_1-xCa_xBa₂Cu_3-xFe_xO_7-δ体系属于CuO₂平面外的元素替代,这时载流子浓度是决定Tc的主要因素;而对Y_1-xCa_xBa₂Cu_3-xNi_xO_7-δ体系,由于Ni²⁺离子主要占据Cu(Ⅱ)位,它导致磁拆对效应,Ni²⁺离子的拆对效应是引起T_c下降的直接原因。 关键词：     

尖晶石铁氧体TixNi1-xFe2O4中阳离子分布和Ti离子磁矩的实验研究

采用固相反应法制备了系列样品Ti_xNi_1-xFe₂O₄ (x=0.0, 0.1, 0.2, 0.3, 0.4). 室温下的X射线衍射谱表明样品全部为(A)[B]₂O₄型单相立方尖晶石结构, 属于空间群Fd3m. 样品的晶格常数随Ti掺杂量的增加而增大. 样品在10 K温度下的比饱和磁化强度σ_S随着Ti掺杂量x的增加逐渐减小. 研究发现, 当Ti掺杂量x≥ 0.2时, 磁化强度σ随温度T的变化曲线出现两个转变温度T_L和T_N. 当温度低于T_N时, 磁化强度明显减小; 当温度达到T_N时, dσ/dT具有最大值. σ-T曲线的这些特征表明, 由于Ti掺杂在样品中出现了附加的反铁磁结构. 这说明样品中的Ti离子不是无磁性的+4价离子, 而是以+2和+3价态存在, 其离子磁矩的方向与Fe和Ni离子的磁矩方向相反. 利用本课题组提出的量子力学方势垒模型拟合样品在10 K温度下的磁矩, 得到了Ti, Fe和Ni三种阳离子在(A)位和[B]位的分布情况, 并发现在所有掺杂样品中, 80%的Ti离子以+2价态占据尖晶石结构的[B]位.     

退火诱导机械合金化Fe42.5Al42.5Ti5B10合金的结构演变与晶粒生长动力学

利用XRD和TEM方法研究Fe_42.5Al_42.5Ti₅B₁₀合金在机械合金化及等温热处理过程中的结构演变及晶粒生长动力学,讨论了机械合金化合成机理和热处理过程中的晶粒生长机理.结果表明,球磨过程中Al,Ti,B原子向Fe晶格中扩散,形成Fe(Al,Ti,B)固溶体.机械合金化合成Fe(Al,Ti,B)遵循连续扩散混合机理.球磨50h后,金属Fe,Al,Ti,B已完全合金化,球磨终产物为纳米晶Fe(Al,Ti,B).球 关键词： XRD TEM 42.5Al_42.5Ti₅B₁₀合金')" href="#">Fe_42.5Al_42.5Ti₅B₁₀合金 机械合金化     

Nano-crystallite Fe3C with giant magnetic coercivity in SiO2

⁵⁷Fe and ¹²C ions were implanted at room temperature into single crystal SiO₂ with energies yielding approximately the same calculated ranges. The energies were 60 and 20 keV, respectively for ⁵⁷Fe and ¹²C and their corresponding doses were 5 × 10¹⁶ and 2 × 10¹⁷ at/cm². The cementite Fe₃C was formed after annealing at 650°C with a size of about 7 nm. Magnetic coercive forces of 900 and 800 Oe were obtained at RT and 80 K, respectively. An explanation for such a strong coercivity is suggested.     

Synthesis of ZnFe2O4 nanomagnets by Fe-ion implantation into ZnO and post-annealing

Fe ions of dose 8 × 10¹⁶ cm^-2 are implanted into a ZnO single crystal at 180 keV. Annealing at 1073 K leads to the formation of zinc ferrite (ZnFe₂O₄), which is verified by synchrotron radiation X-ray diffraction (SR-XRD) and X-ray photoelectron spectroscopy (XPS). The crystallographically oriented ZnFe₂O₄ is formed inside the ZnO with the orientation relationship of ZnFe₂O₄ (111)//ZnO (0001). Superconducting quantum interference device (SQUID) measurements show that the as-implanted and post-annealing samples are both ferromagnetic at 5 K. The synthesized ZnFe₂O₄ is superparamagnetic, with a blocking temperature (T_B = 25 K), indicated by zero field cooling and field cooling (ZFC/FC) measurements.     

Anisotropy of the electrical conductivity in W-type hexagonal ferrites BaFe18O27 and BaCo2Fe16O27 from first principles

The electronic ground structure and the anisotropy of the electrical conductivity in W-type hexagonal ferrite BaFe₁₈O₂₇ and BaCo₂Fe₁₆O₂₇ have been investigated using the generalized gradient approximation (GGA) plus Hubbard U (GGA+U) calculation. In BaFe₁₈O₂₇, because of the presence of mixed valence states at Fe 6g sites, a half metallic peak appears in energy gap and it results in an “electrical conductive layer”. Using a model in which Fe at 6g sites is assumed to be partially replaced by Co, the electronic ground structure of BaCo₂Fe₁₆O₂₇ and the origin of the electrical conductive anisotropy have been studied. Replacement of Fe at 6g site of BaFe₁₈O₂₇ by Co causes the mixed valence states of Fe cations at 6g sites to vanish and the carrier density to lower. Also, it is shown that effective mass of carrier along c axis is much heavier than that perpendicular to c axis in both of materials from electronic energy band calculation. This is the reason why the electrical resistivities of both materials along c axis are much higher than that perpendicular to axis.     

NEUTRON-POWDER-DIFFRACTION STUDY OF ErFe11.35Nb0.65 AND ErFe11.35Nb0.65Ny

ErFe_11.35Nb_0.65 AND ErFe_11.35Nb_0.65N_y have been synthesized and neutron-powder-diffraction experiments at room temperature performed. The ErFe_11.35Nb_0.65N_y nitride, obtained by gas-solid reaction, retains the ThMn₁₂-type structure of its parent compound. The Nb atoms occupy 8i sites and the nitrogen atoms are located at 2b sites. The atomic magnetic moments of the Er ions are antiparallel to those of the Fe atoms. Upon nitrogenation, the lattice cell expands mainly along the a-axis and the atomic magnetic moments of Fe are enhanced.     

POWDER NEUTRON DIFFRACTION STUDIES OF THE CRYSTALLOGRAPHIC AND MAGNETIC STRUCTURE OF Ho2Fe9Ga8 and Ho2Fe9Ga6AI2

The crystallographic and magnetic structures of Ho₂Fe₉Ga₈ and Ho₂Fe₉Ga₆AI₂ were studied by powder neutron diffraction at room temperature. The atom fractional occupancies of Ga and Al and the magnetic moments of Ho and Fe were obtained by using Rietveld analysis program. The magnetic structures of the two samples show an easy-axis anisotropy, with the Fe magnetic moment being ferrimagneticlly coupled to those of Ho.     

A 57Fe and 119Sn Mössbauer study of BaFe4Sn2O11

The Mössbauer spectrum of BaFe₄Sn₂O₁₁ has been recorded for both ⁵⁷Fe and ¹¹⁹Sn isotopes at a variety of temperatures. In the paramagnetic state the ⁵⁷Fe spectra are interpreted in terms of three iron environments. Magnetic ordering begins at 77 K and is virtually complete by 4.2 K to give an average magnetic hyperfine field of 504 kG. The ¹¹⁹Sn spectra also reflect the magnetic ordering and a magnetic hyperfine field of 45 kG is transferred to the tin nuclei.     

Crystal structure and magnetic ordering of manganites La0.7Ca0.3Mn1 ? y Fe y O3

The influence of the replacement of Mn ions in the La_0.7Ca_0.3Mn_{1 − y} Fe _y O₃ compounds (0 ≤ y ≤ 0.09) by another transitional metal, Fe, was studied. The radii of both ions are almost identical, which makes the effect of the transitional metal on the physical properties of manganites more transparent. The crystal structure of three samples (with y = 0, 0.03, 0.09) is studied in the temperature range T = 1.5–300 K by neutron powder diffraction. All investigated samples belong to the orthorhombic space group Pnma (62). It is confirmed that Fe ions occupy the Mn positions in the unit cell. As the Fe concentration increases, the saturation value of the spontaneous magnetic moment and the Curie temperature decrease, but the ground state remains ferromagnetic for 0 ≤ y ≤ 0.1. The saturation values of the magnetic moments at T = 1.5 K are m _FM = 3.72(3), 3.40(3), and 3.27(3) μ _B /Mn for the samples with an Fe concentration y = 0, 0.03, and 0.09, respectively. Original Russian Text ? A.I. Kurbakov, V.S. Zakhvalinskii, R. Laiho, 2007, published in Fizika Tverdogo Tela, 2007, Vol. 49, No. 4, pp. 691–695.     

Magnetic structure and preferential occupation of Fe in the composite compound Nd2Co6Fe

The crystal and magnetic structures of the composite compound Nd₂Co₆Fe have been investigated by high-resolution neutron powder diffraction and X-ray powder diffraction. The compound crystallizes in the hexagonal Ce₂Ni₇-type structure consisting of Nd(Co,Fe)₂ and Nd(Co,Fe)₅ structural blocks alternately stacked along the c-axis. Multi-pattern Rietveld refinement of neutron diffraction and X-ray diffraction data at room temperature reveal that substitution of Fe for Co occurs exclusively in the Nd(Co,Fe)₅ structural blocks. The preferential occupation of the Fe atoms in the structure is discussed based on the mixing enthalpy between Nd and Fe atoms and on the lattice distortions. In agreement with the reported magnetic phase diagram of the Nd₂Co_7−xFe_x compounds, magnetic structure models with the moments of all atoms in the ab plane at 300 K and along the c-axis at 450 K provide a satisfactory fitting to the experimental neutron diffraction data. The refinement results show that the atomic moments of (Co,Fe) atoms within the Nd(Co,Fe)₅ blocks decrease slightly with temperature, whereas the atomic moments of Nd in the compound and of (Co,Fe) atoms at the interface between the Nd(Co,Fe)₂ and Nd(Co,Fe)₅ blocks are reduced significantly.     

P2+和P+注入硅固相外延过程时间分辨的反射率研究

本文以时间分辨的反射率测量结合背散射和沟道分析、透射电子显微镜分析,比较和研究了在77K温度下180keV,1×10¹⁴/cm²P₂⁺和90KeV,2×10¹⁴/cm²P⁺注入硅于550℃退火时的固相外延过程。发现了P₂⁺,P⁺注入硅样品的固相外延过程具有不同的特征。这种差异是由于P₂⁺和P⁺在硅中引入不同的损伤造成的。P⁺注入的硅样品测量得到的时间分辨的反射谱是反常的。这种反常谱可用样品退火时从表面层到非晶硅层与从衬底到非晶硅层的双向外延的过程给出满意的解释。 关键词：     

Magnetic order in Y6(57Fe:Mn)23H26

The ferrimagnetic compound Y₆Mn₂₃ and its hydride Y₆Mn₂₃H₂₆, both doped with 0.5%⁵⁷Fe, have been investigated using the ⁵⁷Fe Mössbauer resonance and dc field magnetization measurements. For the hydride a small ⁵⁷Fe magnetic hyperfine field is observed to increase abruptly below 110 K whereas the bulk magnetization results suggest antiferromagnetic ordering at T_N≈ 180 K.