Effect of cobalt on the magnetoresistance characteristics of rare-earth doped manganites

The effect of cobalt-doping on the magnetic, transport and magnetoresistance characteristics of La_1-xSr_xMnO₃ was investigated. The results show that the magnetoelectric property of rare-earth doped manganites is greatly affected by substitution of Co for Mn sites. The Curie temperature as well as the magnetic moment decreases with the increase of doping concentration, and the samples exhibit obvious characteristics of the spin glass state. Moreover, the magnetoresistance is evidently modulated by doping concentration, and the relevant temperature dependence is also suppressed. In addition, low-temperature magnetoresistance is significantly promoted as doping concentration increases, which renders a value of approximately 50% in the temperature range of 5--200~K and varies within 12.5%. It can be attributed to the effect of spin scattering, induced by cobalt doping, on the itinerant electrons of Mn ions, thus introducing a spin-disorder region into the ferromagnetic region of double-exchange interaction between neighbouring Mn³⁺ and Mn ³⁺ ions.     

Ca3－x AgxCo4O9(x=0—0.05)氧化物的电输运性能

Ca位掺杂可以优化Ca₃Co₄O₉复合氧化物的电输运性能. 采用柠檬酸溶胶凝胶结合放电等离子烧结制备了Ca位微量掺杂Ag的Ca_3-xAg_xCo₄O₉(x=0—005)氧化物块体试样,通过X射线衍射、扫描电子显微镜、电参数测试仪分析了所得试样. 试验结果表明: 产物呈单一物相,Ca位微量掺杂Ag降低了Ca_{关键词： 3}Co₄O₉')" href="#">Ca₃Co₄O₉ 掺杂 电输运     

Study of structural and electronic transport properties of Ce-doped LaMnO3

The structural and electronic transport properties of La_1−x Ce _x MnO₃ (x=0.0–1.0) have been studied. All the samples exhibit orthorhombic crystal symmetry and the unit cell volume decreases with Ce doping. They also make a metal-insulator transition (MIT) and transition temperature increases with increase in Ce concentration up to 50% doping. The system La_0.5Ce_0.5MnO₃ also exhibits MIT instead of charge-ordered state as observed in the hole doped systems of the same composition.     

Ca位置换Fe的氧化物Ca1-xFexMnO3(x=0-0.12)的制备及电输运性能

采用柠檬酸溶胶凝胶结合陶瓷烧结工艺制备了Ca位置换Fe的Ca_1-xFe_xMnO₃(x=0-0.12)氧化物粉末及块体试样,通过X射线衍射及电参数测试分析了所得试样.实验结果表明:在实验范围内,所有试样呈单一物相,Ca位置换Fe之后随置换量的增加,CaMnO₃的晶胞逐渐变小,晶粒长大受到抑制.测试温度范围内所有试样均呈半导体输运特性,电输运机制未发生变化;当x在0- 关键词： 3')" href="#">CaMnO₃ Fe置换 电输运     

P掺杂对绿色荧光粉BaMgAl$lt;sub$gt;10$lt;/sub$gt;O$lt;sub$gt;17$lt;/sub$gt;:Mn$lt;sup$gt;2+$lt;/sup$gt;性能的影响

采用高温固相法合成P掺杂的BaMgAl₁₀O₁₇:Mn²⁺荧光粉,其中P通过（NH₄）₂HPO₄引入.利用X射线衍射谱、傅里叶变换红外光谱、扫描电子显微镜、能量色散谱、真空紫外光谱等研究了P掺杂对BaMgAl₁₀O₁₇:Mn²⁺晶体结构、微观形貌、发光性能等的影响.研究结果表明：（NH₄）₂HPO₄具有助熔剂的作用,它的加入有助于荧光粉的晶化,改善荧光粉的形貌.P掺杂进入晶格,使得晶胞参数变小,从而改变了Mn²⁺的晶体场环境,引起发射光谱蓝移,色坐标x值降低.P掺杂能有效提高基质对真空紫外线的吸收,从而提高真空紫外激发下的发光强度. 关键词： P掺杂 10O₁₇:Mn²⁺')" href="#">BaMgAl₁₀O₁₇:Mn²⁺ 晶体结构 真空紫外     

Electronic and optical properties of pure and Mo doped anatase TiO2 using GGA and GGA+U calculations

Comparative GGA and GGA+U calculations for pure and Mo doped anatase TiO₂ are performed based on first principle theory, whose results show that GGA+U calculation provide more reliable results as compared to the experimental findings. The direct band gap nature of the anatase TiO₂ is confirmed, both by using GGA and GGA+U calculations. Mo doping in anatase TiO₂ narrows the band gap of TiO₂ by introducing Mo 4d states below the conduction band minimum. Significant reduction of the band gap of anatase TiO₂ is found with increasing Mo doping concentration due to the introduction of widely distributed Mo 4d states below the conduction band minimum. The increase in the width of the conduction band with increasing doping concentration shows enhancement in the conductivity which may be helpful in increasing electron–hole pairs separation and consequently decreases the carrier recombination. The Mo doped anatase TiO₂ exhibits the n-type characteristic due to the shifting of Fermi level from the top of the valence band to the bottom of the conduction band. Furthermore, a shift in the absorption edge towards visible light region is apparent from the absorption spectrum which will enhance its photocatalytic activity. All the doped models have depicted visible light absorption and the absorption peaks shift towards higher energies in the visible region with increasing doping concentration. Our results describe the way to tailor the band gap of anatase TiO₂ by changing Mo doping concentration. The Mo doped anatase TiO₂ will be a very useful photocatalyst with enhanced visible light photocatalytic activity.     

掺稀土元素(Y，La)的γ-Si3N4的电子结构和光学性质

采用基于密度泛函的平面赝势方法(PWP)和广义梯度近似(GGA)，计算了未掺杂和掺杂稀土(Y，La)的γ-Si₃N₄中N-Y(La)键的布居值和它们的键长、掺杂后能带结构和态密度.发现掺杂后的带隙要减小，并且可能形成新的半导体，这将为找到新的半导体提供一个方向.还进一步研究了掺杂稀土(Y，La)后的光学性质，掺杂后有更高的静态介电常数，可以作为新的介电材料和好的折射材料，这对于一定的光学元件有潜在的应用前景.     

内掺过渡金属非典型富勒烯M@C22(M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni) 几何结构、电子结构、稳定性和磁性的密度泛函研究

采用密度泛函理论中广义梯度近似对非典型富勒烯C₂₂和过渡金属内掺衍生物M@C₂₂(M=Sc,Ti,V,Cr,Mn,Fe,Co和Ni)的几何结构和电子结构进行计算研究.发现非典型富勒烯C₂₂的基态结构是含有一个四碳环的单重态笼状结构.过渡金属原子的掺入明显提高了体系的稳定性. C-M键既有一定共价性又有一定离子性.磁性、能级图、轨道分布和态密度图分析表明: M原子的3d轨道和碳笼的C原子的原子轨道之间存在较强的轨道杂化. Ti, Cr, Fe和Ni内掺的结构出现磁性完全猝灭现象. Sc和碳笼间是弱反铁磁作用, V,Mn和Co与碳笼间是弱铁磁作用.     

Fe掺杂量对双层复合结构BaTi1-zFezO3+δ-Tb1-xDyxFe2-y中磁电耦合的影响

采用溶胶凝胶方法制备了Fe掺杂钛酸钡多晶系列陶瓷BaTi_1-zFe_zO_3+δ(0.005≤z≤0.02) (BTFO).X射线衍射实验显示,所制备的BTFO的结构仍然为四方相钙钛矿.差热分析表明,该BTFO样品的铁电-顺电转变温度及相变潜热随掺杂量z的增加而下降.将该BTFO极化后与Tb_1-xDy_xF 关键词： 磁电耦合 掺杂效应 掺杂钛酸钡     

Influence of Y2Cu2O5 nanoparticles doping on superconducting properties of YBa2Cu3O7-δ

ABSTRACT

The blue phase of YBa₂Cu₃O_{7- δ} (YBCO) family, Y₂Cu₂O₅ (Y202) nanoparticles were prepared and doped into (YBCO) superconductor and the effect of doping on critical current density and critical temperature was investigated. Y202 nanoparticles with particle sizes of 47, 107 and 206?nm were prepared by a sol–gel combustion method and added into the YBCO superconductor by 0.5–2?wt.%. XRD and scanning electron microscope measurements were used to characterize the samples. The measurement of critical current density at 77?K revealed that the doped superconductors had larger critical current density compared to the undoped superconductors. For a fixed dopant concentration, by increasing the size of nanoparticles, the J_c was increased. For the samples including 0.5?wt.% of nanoadditives, J_c was higher. The highest critical current density of 137?A/cm² was measured for the superconductors containing 0.5?wt.% of 206?nm Y202 nanoparticles. Also, by increasing the nanoparticles concentration, the T_c was reduced.     

梯形化合物NaV2O4F电子结构的第一性原理研究

采用基于密度泛函理论(DFT)的第一性原理赝势平面波方法, 通过自旋极化的广义梯度近似(GGA)电子结构计算对梯形化合物NaV₂O₄F进行了研究. 考虑了四种假想的自旋有序态,计算结果表明该化合物的磁基态具有二维反铁磁(AFM)结构, 即沿梯阶和梯腿方向都表现为AFM作用. 能带结构显示NaV₂O₄F为绝缘体材料, 带隙约为1.0eV. 方锥体中的晶体场劈裂使得VO₄F方锥体中的 V^{4+ 关键词： 2O₄F')" href="#">NaV₂O₄F 梯形化合物 第一性原理计算 电子结构}     

Theoretical studies of the spin Hamiltonian parameters and local structures for WO3 doped Zn3(PO4)2ZnO nanopowders

The spin Hamiltonian parameters (SHPs) and the local structures for impurity W⁵⁺ in the Zn₃(PO₄)₂ZnO nanopowders doped with WO₃ under different concentrations are theoretically investigated using the perturbation calculations of these parameters. The exponential functions of the related quantities (cubic field parameter Dq, covalency factor N, relative tetragonal compression ratio τ and core polarisation constant κ) of concentration x with totally four adjustable coefficients a, b, c and d are adopted to fit the concentration dependences of the experimental d-d transition bands and SHPs. The impurity W⁵⁺ centres demonstrate moderate tetragonal compression ratios τ (～3.1%) due to the Jahn–Teller effect. With the increase of WO₃ concentration, Dq and N show moderately decreasing rules, while τ and κ exhibit slightly and moderately increasing tendencies with x, respectively. The mechanisms of the above concentration dependences of these quantities are analysed from the modifications of the local crystal-field strength and electron cloud density around the impurity W⁵⁺ with the variation of x. Present theoretical studies would be useful to the exploration of the structural properties and optical applications for WO₃ doped Zn₃(PO₄)₂ZnO nanopowders.     

Co(S1-xSex)2系统中的铁磁量子相变

针对Co(S_1-xSe_x)₂系统在x=0.11附近发生的铁磁金属到顺磁金属相变,制备了一系列不同Se替代浓度的多晶样品.通过对其结构和电阻率-温度ρ(T)关系的系统观测,结果发现,样品铁磁相变温度T_C随着Se替代浓度x值的增加,以(1-x)^1/2关系单调下降,其二级铁磁相变转变为一级相变 关键词： 量子相变 自旋量子涨落 1-xSe_x)₂')" href="#">Co(S_1-xSe_x)₂     

The effect of doping by IV-family elements on the electronic structure and electrical characteristics of Sb2O5

The electronic structures of doped Sb₂O₅ by IV-family elements (Si, Ge and Sn) were examined using the density function theory (DFT). Density of states (DOSs) results showed that the substituted IV-family elements act as acceptors in Sb₂O₅. Partial DOSs indicates that by substituting Ge(Ge _Sb ) or Sn(Sn _Sb ), there may be a larger contribution to the total DOSs near E _F than by substituting Si, which suggests that doping Ge or Sn in Sb₂O₅ produces better ptype doping compared to doping Si. Formation energy results show that IV-family elements are more likely to exist in the substituted position rather than in the interstitial position in Sb₂O₅, decreasing any self-compensation effect and making it easier for IV-family elements to realize ptype doping in Sb₂O₅. Ionization energy results show that Ge _Sb or SnSb, two among the three impurities considered, act as shallow acceptors in Sb₂O₅, thus producing a higher concentration of holes.      

Superconductivity in the hole-doped oxy-arsenide RE1−xSrxFeAsO (RE = La, Pr)

Bulk superconductivity was observed in the FeAs-based RE_1−xSr_xFeAsO (RE = La, Pr) when the di-valence element Sr was substituted to the site of the tri-valence element La and Pr. The maximum superconducting transition temperatures T_c for the two systems are 26 K and 16.3 K, respectively. The doping dependence of the electrical properties and structure of these two systems were investigated systematically. A roughly monotonic increase of T_c and the lattice constants (a-axis and c-axis) with Sr concentration and a saturation behavior in the high doping levels were found. We confirmed that conduction in this type of materials is dominated by hole-like charge carriers by the Hall effect measurements. Also the resistive measurements revealed possible higher upper critical field in these systems comparing with the electron-doped ones.     

SiN掺杂提高BaMgAl10O17:Eu2+荧光粉光学性能的第一性原理研究

使用基于密度泛函理论的CASTEP软件计算了BAM:Eu²⁺(BaMgAl₁₀O₁₇:Eu²⁺)荧光粉在SiN掺杂前后的能带、态密度、吸收光谱和Mulliken布居．Eu²⁺处于BR位置光吸收更强;SiN掺杂使处于BR位置的Eu²⁺的数量上升,而处于mO位置的Eu²⁺的数量下降,抵消了SiN掺杂降低Eu的态密度对光谱的影响．所以适量掺杂的SiN提高了BAM:Eu²⁺荧光粉的吸收发射光谱强度．Si-N键和Eu-N键的Mulliken布居数分别高于Al-O键和Eu-O键, 说明Si-N键和Eu-N键的共价性分别强于Al-O键和Eu-O键．发光中心Eu²⁺局域结构共价性的增强降低了BAM:Eu²⁺镜面层的活性,这是SiN掺杂提高BAM:Eu²⁺+荧光粉光学稳定性的主要原因．     

B位等价掺杂SrBi4Ti4O15铁电材料的性能研究

采用了传统的固相烧结工艺,制备了不同Zr和Hf掺杂量的SrBi₄Ti_4-xZr_xO₁₅（x=000,003, 006,010,020）和SrBi₄Ti_4－xHf_xO₁₅（x=000,0005, 0015,0030,0060）的陶瓷 关键词： 4Ti_4-xZr_xO₁₅')" href="#">SrBi₄Ti_4-xZr_xO₁₅ 4Ti_4－xHf_xO₁₅')" href="#">SrBi₄Ti_4－xHf_xO₁₅ 铁电性能 介电性能     

Si掺杂的铁磁形状记忆合金Co50Ni21Ga29Six的物性研究

成功生长了Co₅₀Ni₂₁Ga₂₉:Si(x=1,2)单晶样品,对其磁性,马氏体相变及其相关性质进行了细致的测量.发现掺Si成分的单晶具有非常迅速的马氏体相变行为、2.5％的大相变应变、大于100 ppm的磁感生应变和4.5％的相变电阻.进一步研究指出,在CoNiGa合金中掺入适量Si元素,能够降低材料的马氏体相变温度,减小相变热滞后,提高材料的居里温度,并使得磁性原子的磁矩有所降低.尤其重要的是Si元素的添加能够增大材料马氏体的磁晶各向异性能,改善马氏体变体的迁移特性,从而获得更大的磁感生应变. 关键词： 铁磁形状记忆合金 Heusler合金 50Ni₂₁Ga₂₉Si_x')" href="#">Co₅₀Ni₂₁Ga₂₉Si_x     

激光吸收铒掺杂上转换材料的光谱特性实验分析

采用湿化学法制备了铒掺杂氧化钇上转换纳米粉体材料.研究了不同掺杂浓度、掺杂元素种类对材料显微结构、物相组成和光谱特性的影响.结果表明,通过控制掺杂元素的种类、掺杂浓度可以实现对光谱性能（包括光谱反射系数和上转换光谱）的调控.实验表明,该材料对106 μm激光具有较好的吸收性能. 关键词： 铒掺杂氧化钇纳米粉体 上转换材料 激光与红外复合隐身 光谱反射系数     

Compare of the electronic structures of F- and Ir-doped SmFeAsO

The electronic structures of Fe-based superconductor SmFeAsO_1−xF_x and SmFe_1−yIr_yAsO are compared through X-ray photoemission spectroscopy in this study. With fluorine or iridium doping, the electronic structure and chemical environment of the SmFeAsO system were changed. The fluorine was doped at an oxygen site which introduced electrons to a reservoir Sm–O layer. The iridium was doped at an Fe site which introduced electrons to a conduction Fe–As layer directly. In a parent material SmFeAsO, the magnetic ordering corresponding to Fe3d in the low-spin state is suppressed by both fluorine and iridium doping through suppressing the magnetism of 3d itinerant electrons. Compared to fluorine doping, iridium doping affected superconductivity more significantly due to an iridium-induced disorder in FeAs layers.