Mn掺杂对半金属铁磁体Fe_2Si电磁特性的影响

此文用基于密度泛函理论第一性原理的贋势平面波方法,计算了Fe_2Si及Mn掺杂Fe_2Si体系的能带结构、电子态密度和磁学特性,分析了不同位置Mn掺杂对Fe_2Si电磁特性的影响,获得了纯的和不同位置Mn掺杂的Fe_2Si体系是铁磁体,自旋向上的能带结构穿过费米面表现金属特性,纯Fe_2Si的半金属隙为0.164e V;Mn掺杂在Fe1位时,自旋向下部分转变为A-M间的间接带隙半导体,体系呈现半金属特性,此时磁矩为2.00μB,是真正的半金属性铁磁体;掺杂在Fe2位时,自旋向下部分的带隙值接近于0,体系呈现金属特性;掺杂在Fe3位时,自旋向下部分转变为L-L间的直接带隙半导体,体系呈现半金属特性等有益结果 .自旋电荷密度分布图表明Mn原子的3d电子比较局域,和周围原子成键时3d电子更倾向于形成共价键.体系的半金属性和磁性主要来源于Fe-3d电子与Mn-3d电子之间的d-d交换,Si-3p电子与Fe、Mn-3d电子之间的p-d杂化.这些结果为半金属铁磁体Fe_2Si的电磁调控提供了有效的理论指导.     

新型稀磁半导体Mn掺LiCaP的磁电性质

采用基于密度泛函理论的第一性原理平面波超软赝势方法,对纯LiCaP、Mn掺杂LiCaP、Li过量和不足时Mn掺杂LiCaP体系进行几何结构优化,计算并分析了体系的电子结构、能带结构、态密度等.结果表明:Li1±y(Ca1-xMnx) P(x=0. 125,y=0. 125)体系均表现为100%自旋注入,材料均具有半金属亚铁磁性,半金属性稳定,磁矩较大且主要来源于Mn掺入形成的深能级杂质带. Li过量时材料的导电性得到改善,Li不足时体系的居里温度(Tc)提高,说明LiCaP半导体的磁性和电性可以分别通过Mn的掺入和Li的含量进行调控.     

The influence of diffusion temperature on the structural, optical and magnetic properties of manganese-doped zinc oxysulfide thin films

We investigated the structural, optical and magnetic properties of Mn-doped zinc oxysulfide films. Zn(O,S) films were deposited by a spray pyrolysis method on glass substrate. A thin Mn layer evaporated on these films served as the source for the diffusion doping. The XRD pattern of undoped films revealed the presence of two wurtzite phases corresponding to ZnS and ZnO with a strong preferred orientation along the ZnS (0 0 2) hexagonal plane direction. SEM showed a similar surface morphology for the undoped and Mn-doped films, displaying regular arrays of hexagonal micro-rods perpendicular to the substrate. The optical transmission measurements showed that both undoped and Mn diffusion-doped films had a low average transmittance less than about 10%. The gap energy is decreased from 3.42 to 3.33 eV upon annealing at 400 °C. Photoluminescence studies at 300 K show that the incorporation of manganese leads to a decrease of deep level band intensity compared to undoped sample. Clear ferromagnetic loops were observed for the Mn-doped Zn(O,S) films, which might be due to the presence of point defects.     

新型导电陶瓷Sm0.9Sr0.1Al0.5Mn0.5O3-δ的制备及其电性能研究

采用有机凝胶法结合固相烧结技术制备了Sm0.9Sr0.1Al0.5Mn0.5O3－δ (SSAM9155)新型导电陶瓷. 通过TG/DTA, FTIR, XRD, SEM和直流四引线法系统研究了凝胶前驱体的热分解及其相转化过程和烧结体的结构、相稳定性、微观形貌、电导率以及电输运机制. 结果表明, 凝胶前驱体在900 ℃焙烧5 h可以形成完全晶化的四方钙钛矿相纳米粉体; 高温烧结制得的SSAM9155陶瓷的电导率取决于p型电导, 电导率随温度的升高而增大, 导电行为符合p型小极化子跳跃机制; 随烧结温度的升高或保温时间的延长, SSAM9155陶瓷的电导率和相对密度都先增大后减小, 1600 ℃烧结10 h制得的SSAM9155陶瓷具有最高的电导率和相对密度(98%), 该样品在空气和氢气气氛中850 ℃时的电导率分别为8.21和1.26 S•cm－1, 表观活化能分别为0.265和0.465 eV. 具有较高电导率的Sr, Mn掺杂的SmAlO3导电陶瓷有望成为一种新型的固体氧化物燃料电池(SOFC)阳极材料.     

Structural and optical properties of Mn-doped ZnO nanocrystalline thin films with the different dopant concentrations

The transparent nanocrystalline thin films of undoped zinc oxide and Mn-doped (Zn_1−xMn_xO) have been deposited on glass substrates via the sol–gel technique using zinc acetate dehydrate and manganese chloride as precursor. The as-deposited films with the different manganese compositions in the range of 2.5–20 at% were pre-heated at 100 °C for 1 h and 200 °C for 2 h, respectively, and then crystallized in air at 560 °C for 2 h. The structural properties and morphologies of the undoped and doped ZnO thin films have been investigated. X-ray diffraction (XRD) spectra, scanning electron microscopy (SEM), atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS) were used to examine the morphology and microstructure of the thin films. Optical properties of the thin films were determined by photoluminescence (PL) and UV/Vis spectroscopy. The analyzed results indicates that the obtained films are of good crystal quality and have smooth surfaces, which have a pure hexagonal wurtzite ZnO structure without any Mn related phases. Room temperature photoluminescence is observed for the ZnO and Mn-doped ZnO thin films.     

Low temperature complete combustion of dilute propane over Mn-doped ZrO2 (cubic) catalysts

Combustion of dilute propane (0.9 mol%) over Mn-doped ZrO₂ catalysts prepared using different precipitating agents (viz. TMAOH, TEAOH, TPAOH, TBAOH and NH₄OH), having different Mn/Zr ratios (0.05—0.67) and calcined at different temperatures (500—800°C), has been thoroughly investigated at different temperatures (300—500°C) and space velocities (25,000–100,000 cm³ g⁻¹ h⁻¹) for controlling propane emissions from LPG-fuelled vehicles. Mn-doped ZrO₂ catalyst shows high propane combustion activity, particularly when its ZrO₂ is in the cubic form, when its Mn/Zr ratio is close to 0.2 and when it is prepared using TMAOH as a precipitating agent and calcined at 500—600°C. Pulse reaction of propane in the absence of free-O₂ over Mn-doped ZrO₂ (cubic) and Mn-impregnated ZrO₂ (monoclinic) catalysts has also been investigated for studying the relative reactivity and mobility of the lattice oxygen of the two catalysts. Both reactivity and mobility of the lattice oxygen of Mn-doped ZrO₂ are found to be much higher than that of Mnimpregnated ZrO₂. Propane combustion over Mn-doped ZrO₂ catalyst involves a redox mechanism     

基于Mn掺杂ZnS量子点室温磷光法测定水样中百草枯

利用水相合成法制备了3-巯基丙酸(3-Mercaptopropionic Acid,MPA)包裹的Mn掺杂ZnS量子点(Quantum Dots,QDs),基于该量子点的室温磷光性质,构建了一种快速、灵敏检测水样中百草枯(Paraquat,PQ)含量的新方法。方法无需添加任何除氧剂和诱导剂等复杂的预处理过程。在pH=7.4的磷酸盐缓冲溶液中,PQ通过静电作用可以猝灭Mn掺杂ZnS QDs在波长590nm处的磷光,且在一定范围内PQ的浓度与磷光猝灭强度(P0/P)呈良好的线性关系,线性范围为2.5~50μg/L,相关系数为0.994,方法检出限为0.769μg/L。该方法适用于不同水样中百草枯的痕量检测。     

Structure, room-temperature magnetic and optical properties of Mn-doped TiO2 nano powders prepared by the sol-gel process

TiO 2 nano powders with Mn concentration of 0 at%-12 at% were synthesized by the sol-gel process,and were annealed at 500 C and 800 C in air for 2 hrs.X-ray diffraction (XRD) measurements indicate that the Mn-TiO 2 nano powders with Mn concentration of 1 at% and 2 at% annealed at 500 and 800 C are of pure anatase and rutile,respectively.The scanning electron microscope (SEM) observations reveal that the crystal grain size increases with the annealing temperature,and the high resolution transmission electron microscopy (HRTEM) investigations further indicate that the samples are well crystallized,confirming that Mn has doped into the TiO 2 crystal lattice effectively.The room temperature ferromagnetism,which could be explained within the scope of the bound magnetic polaron (BMP) theory,is detected in the Mn-TiO 2 samples with Mn concentration of 2 at%,and the magnetization of the powders annealed at 500 C is stronger than that of the sample treated at 800 C.The UV-VIS diffuse reflectance spectra results demonstrate that the absorption of the TiO 2 powders could be enlarged by the enhanced trapped electron absorption caused by Mn doping.     

Assimilation of manganese metal ion doped hydroxyapatite by Co-Precipitation technique

Calcium phosphate mineral [HAp] is a vital ingredient in orthopaedics, dental and hard tissue applications in mammals. Since it can absorb a large number of impurities, the doped HAp has the potential for biomedical applications using its physical and structural properties. In this research, the Mn-doped HAp in which x calcium atoms are replaced by Mn (Ca_10-x Mn_x (PO₄)₆(OH)₂ where x = 0.2, 0.4, 0.6, 0.8 mol) is obtained by the co-precipitation method. The physical properties of Mn-doped HAp, such as average crystallite size and degree of crystalline, are determined through XRD studies. The peaks corresponding to the functional groups PO4^3?, CO, and OH of the samples are identified by FTIR studies. The impedance spectroscopy method helps in the investigation of electrical conductivity, and dielectric loss in the impedance spectra for various doping concentrations. The average molar ratio of HApMn is determined with the help of EDX. It was found that there is a decrease in the degrees of crystallization with the doping element concentration (Mn) in all the samples. The diffraction (hkl) indices are confirmed from the selected area electron diffraction (SAED) rings, and the morphological study of the samples using TEM confirms the shape as a rod-like structure. To conclude, the variation in the characteristics of HAp relies on the doping concentration of Mn.     

锰掺杂硫化锌量子点磷光探针对蜂蜜中四环素类抗生素残留的高灵敏检测

通过水合法合成了L-半胱氨酸修饰的锰掺杂硫化锌量子点(Mn∶ZnS QDs)。利用四环素类抗生素(Tetracyclines,TCs)对锰掺杂硫化锌量子点磷光激发光的內滤效应建立蜂蜜中TCs残留的快速、高灵敏检测方法。TCs在Mn∶ZnS QDs磷光最佳激发波长289 nm处有较强的紫外吸收,当Mn∶ZnS QDs体系中存在TCs时,激发光一定程度地被TCs吸收,磷光信号减弱。本研究以强力霉素(Doxycycline,DTC)为代表,建立Mn∶ZnS QDs磷光信号与DTC浓度的线性关系,进而实现对DTC的定量检测。结果表明,在优化条件下,Mn∶ZnS QDs磷光信号减小值的自然对数与DTC浓度在0.05~150μmol·L-1范围内呈良好的线性关系,线性方程为ln P 0/P=0.01758 C(DTC)+0.01351(R 2=0.999),检出限为0.0097μmol·L-1。同时,对实际样品蜂蜜做了加标回收率实验,回收率为92.4%~110%。本研究建立的Mn∶ZnS QDs磷光探针用于TCs残留检测具有良好重复性和稳定性,可用于蜂蜜中TCs残留的快速、高灵敏检测。