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镍掺杂ZnO的半金属铁磁性质和光学性质的研究 被引量:2
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作者 王宇杰 文黎巍 申江 《原子与分子物理学报》 CAS CSCD 北大核心 2010年第2期327-332,共6页
采用基于局域密度泛函理论的第一原理平面波超软膺势法,研究了纯净ZnO和Ni掺杂ZnO后的能带结构、电子态密度以及光学性质,结果表明:Ni掺杂ZnO后存在自旋极化,体系表现出半金属铁磁性质,可以实现自旋极化载流子的注入,并且在可见光区和... 采用基于局域密度泛函理论的第一原理平面波超软膺势法,研究了纯净ZnO和Ni掺杂ZnO后的能带结构、电子态密度以及光学性质,结果表明:Ni掺杂ZnO后存在自旋极化,体系表现出半金属铁磁性质,可以实现自旋极化载流子的注入,并且在可见光区和紫外光区(1.98 eV~5.61 eV)的吸收系数显著提高. 展开更多
关键词 密度泛函理论 第一性原理 Ni掺杂ZnO 铁磁性质 自旋极化
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Fe_9Si的电子结构及铁磁性质的第一性原理研究
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作者 谢晶 谢泉 +3 位作者 刘栋 张翀 马瑞 黄晋 《原子与分子物理学报》 北大核心 2017年第6期1162-1166,共5页
采用第一性原理的密度泛函理论(Density Functional Theory)赝势平面波方法,对Fe_9Si的电子结构和铁磁性质进行理论计算.计算结果表明:(1)Fe_9Si具有负的形成热-0.1094 eV/atom,结合能5.124eV/atom,表明Fe_9Si合金具有强结合力和结构稳... 采用第一性原理的密度泛函理论(Density Functional Theory)赝势平面波方法,对Fe_9Si的电子结构和铁磁性质进行理论计算.计算结果表明:(1)Fe_9Si具有负的形成热-0.1094 eV/atom,结合能5.124eV/atom,表明Fe_9Si合金具有强结合力和结构稳定性;(2)Fe_9Si具有典型的金属能带特征,穿过Fermi能级的能带最主要是Fe的3d态电子的贡献,其次是来自Si的3p态电子的贡献.结合键不是单一金属键,而是金属键和共价键组成的混合键;(3)Fe_9Si的铁磁性主要来自Fe原子的未满层壳的3d态电子的自旋.计算结果为Fe_9Si铁磁性材料的设计与应用提供了理论依据. 展开更多
关键词 Fe9Si 第一性原理 电子结构 铁磁性质
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三唑配体化合物的电子结构和磁性质的第一性原理研究
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作者 王忠龙 徐辉进 姚凯伦 《材料导报》 EI CAS CSCD 北大核心 2010年第24期70-72,82,共4页
利用第一性原理方法研究了化合物[CuⅡCuⅠ(trz)Cl2](trz=triazole)的电子结构和磁性质,计算了化合物的磁矩和态密度。结果显示,自旋磁矩主要来源于Cu离子,而Cl、N1、N2和C原子也有较小的自旋磁矩分布。化合物中Cu离子与三唑配体和3μ... 利用第一性原理方法研究了化合物[CuⅡCuⅠ(trz)Cl2](trz=triazole)的电子结构和磁性质,计算了化合物的磁矩和态密度。结果显示,自旋磁矩主要来源于Cu离子,而Cl、N1、N2和C原子也有较小的自旋磁矩分布。化合物中Cu离子与三唑配体和3μ配体之间存在铁磁耦合。铁磁性质来源于自旋退局域化效应。Cu1(即CuⅡ)离子与三唑配体之间的铁磁相互作用比Cu2(即CuⅠ)离子与三唑配体之间的铁磁相互作用强。 展开更多
关键词 磁有序材料 铁磁性质 第一性原理
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居里温度演示装置 被引量:1
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作者 何捷 刘炳升 《物理通报》 2002年第12期28-28,共1页
铁磁性物质被加热达到居里温度时,会发生由铁磁性向顺磁性转变,这是铁磁性物质的重要特性之一。利用这一特性制造的温控开关已有着广泛的应用,家用电饭煲里的温控开关就是成功的例子之一。大学物理课程中,教师讲授该内容时,由于缺乏相... 铁磁性物质被加热达到居里温度时,会发生由铁磁性向顺磁性转变,这是铁磁性物质的重要特性之一。利用这一特性制造的温控开关已有着广泛的应用,家用电饭煲里的温控开关就是成功的例子之一。大学物理课程中,教师讲授该内容时,由于缺乏相应的演示仪器而难以达到预期的教学效果。以下介绍的演示装置可生动地演示这一物理现象,以弥补这方面的不足。 展开更多
关键词 居里温度演示装置 铁磁性质物质 温控开关 高校 物理教学
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FcBAK/钼磷酸电荷转移型杂化分子的合成及性能
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作者 吴莹 李正 +1 位作者 鞠金梅 闻荻江 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2008年第4期779-782,共4页
二茂铁衍生物l-二茂铁基3-苯基丙-2-烯-1-酮(FcBAK)与钼磷酸盐Na2HPMo12O40·xH2O经室温固相合成得到有机-无机杂化分子,通过元素分析、IR、ICP、AAS和TG等表征手段确证产物的分子组成和结构为(FcBAK)3HPMo12O40·2H2O.固体电... 二茂铁衍生物l-二茂铁基3-苯基丙-2-烯-1-酮(FcBAK)与钼磷酸盐Na2HPMo12O40·xH2O经室温固相合成得到有机-无机杂化分子,通过元素分析、IR、ICP、AAS和TG等表征手段确证产物的分子组成和结构为(FcBAK)3HPMo12O40·2H2O.固体电子光谱及ESR谱表明,FcBAK与钼磷酸之间发生了电荷转移作用,生成电荷转移型有机-无机分子复合物,该复合物的磁学行为表现出较强的铁磁性质,粉末样品的室温饱和磁化强度为0.41A·m2/kg,矫顽力为0.0105T,属于软磁性有机-无机分子复合材料. 展开更多
关键词 有机-无机杂化分子 二茂铁基衍生物 钼磷杂多酸 电荷转移 铁磁性质
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稀磁性半导体研究进展
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作者 王永强 张爱芸 《河南理工大学学报(自然科学版)》 CAS 2007年第4期451-456,共6页
由磁性离子部分地代替非磁性阳离子所形成的稀磁性半导体,因其具有很多独特的性质而受到人们的广泛关注.本文主要介绍了稀磁性半导体的研究背景、研究过程、现状及其发展前景,并以Y.Matsumoto等所做的研究为例,介绍了此类材料的制备、... 由磁性离子部分地代替非磁性阳离子所形成的稀磁性半导体,因其具有很多独特的性质而受到人们的广泛关注.本文主要介绍了稀磁性半导体的研究背景、研究过程、现状及其发展前景,并以Y.Matsumoto等所做的研究为例,介绍了此类材料的制备、研究方法以及技术中存在的缺陷. 展开更多
关键词 稀磁性半导体 自旋 掺杂 铁磁性质
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二维叠氮双桥铜(Ⅱ)配位聚合物磁性的第一性原理研究(英文)
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作者 李健文 聂招秀 +1 位作者 傅雅卿 何玉平 《南昌工程学院学报》 CAS 2013年第1期41-44,共4页
采用第一性原理计算方法研究二维化合物Cu(N3)2(py-c-c-py)的电子结构与磁性质.研究结果表明,化合物的基态为稳定的铁磁态.分波态密度和能带结构分析显示中心铜离子向叠氮基团和吡啶桥存在自旋退局域化现象.并且费米能级附近的占据态主... 采用第一性原理计算方法研究二维化合物Cu(N3)2(py-c-c-py)的电子结构与磁性质.研究结果表明,化合物的基态为稳定的铁磁态.分波态密度和能带结构分析显示中心铜离子向叠氮基团和吡啶桥存在自旋退局域化现象.并且费米能级附近的占据态主要由铜-3d态组成,还有少量的氮-2p态.同时还发现了铜原子之间通过叠氮双桥发生铁磁交换相互作用,与实验结果相符. 展开更多
关键词 磁有序材料 密度泛函理论 铁磁性质 第一性原理方法
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大环双核配合物的合成及研究进展
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作者 宋继国 《中山大学研究生学刊(自然科学与医学版)》 2002年第1期37-44,共8页
本文综述了97年以来大环双核配合物在合成和性质研究方面的进展。
关键词 大环双核配合物 合成 研究进展 双核铜配合物 铁磁性质 催化性能
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Fe掺杂YbMnO_3晶体的磁性增强研究
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作者 刘悦 孔勇发 +1 位作者 许京军 Sang-Wook Cheong 《人工晶体学报》 EI CAS CSCD 北大核心 2015年第8期2024-2027,共4页
通过固相反应和熔融法制备了不同掺杂浓度的Fe掺杂锰酸镱(YbMnO3)晶体,并研究了晶体的铁磁性和反铁磁性性质。不同浓度掺杂YbMn1-xFexO3的晶格参数的变化及XRD物相分析显示,Fe离子进入了YbMnO3晶体的晶胞。磁学性质的测量表明,YbMn0.45F... 通过固相反应和熔融法制备了不同掺杂浓度的Fe掺杂锰酸镱(YbMnO3)晶体,并研究了晶体的铁磁性和反铁磁性性质。不同浓度掺杂YbMn1-xFexO3的晶格参数的变化及XRD物相分析显示,Fe离子进入了YbMnO3晶体的晶胞。磁学性质的测量表明,YbMn0.45Fe0.55O3晶体中存在明显提高的铁磁性质;与YbMnO3晶体相比,YbMn0.45Fe0.55O3晶体的尼尔温度由81 K大幅提高到116 K,同时晶体的反铁磁强度提高了两个数量级。YbMn1-xFexO3晶体具有比YbMnO3晶体更加优异的磁学性质。 展开更多
关键词 YbMnO3晶体 铁磁性质 尼尔温度 熔融法
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钙钛矿类单相多铁材料的研究现状
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作者 杨雯 陆海鹏 《科技资讯》 2018年第11期102-102,105,共2页
钙钛矿结构因其存在多铁性质吸引了很多研究兴趣。主要介绍了几种重要的钙钛矿结构的研究现状。Bi基钙钛矿体系存在很高的铁电极化强度;锰氧化物是一种典型的强关联电子体系,体系可以在不同条件下发生各种相变;R2Ni Mn O6在室温下具有... 钙钛矿结构因其存在多铁性质吸引了很多研究兴趣。主要介绍了几种重要的钙钛矿结构的研究现状。Bi基钙钛矿体系存在很高的铁电极化强度;锰氧化物是一种典型的强关联电子体系,体系可以在不同条件下发生各种相变;R2Ni Mn O6在室温下具有相当大的磁介电效应以及存在室温铁磁转变温度。同时提出了目前钙钛矿结构存在的问题。 展开更多
关键词 多铁材料 钙钛矿结构 铁电性质 铁磁性质
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Structural, Magnetic and Optical Properties of BiFe1-xNbxO3
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作者 冼慧敏 杜奕全 +1 位作者 张弜 陈熹 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2016年第5期578-584,I0002,共8页
Nb doped multiferroic BiFe1-xNbxO3 (0 〈x 〈0.05) polycrystalline powders have been syn-thesized by using a sol-gel method. The effect of Nb dopant on the structural, magnetic and optical properties is investigated.... Nb doped multiferroic BiFe1-xNbxO3 (0 〈x 〈0.05) polycrystalline powders have been syn-thesized by using a sol-gel method. The effect of Nb dopant on the structural, magnetic and optical properties is investigated. According to the X-ray di raction data and the result of Rietveld re nement, all the samples maintain the R3c phase, while the lattice parameters a, c, the cell volume V and the Fe-O-Fe bond angle change. The remnant magnetization enhances by appropriate Nb doping due to the decreasing of the grain size. Meanwhile, Nb dopant leads to the narrowing of the band gap of BiFe1-xNbxO3 samples. 展开更多
关键词 Bismuth ferrite Crystal structure Magnetic property Band gap
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Dispersion mechanism of nano-magnetite coated with oleate in aqueous carrier 被引量:1
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作者 胡岳华 刘建平 +1 位作者 徐竸 王淀佐 《Journal of Central South University of Technology》 EI 2008年第5期663-668,共6页
To investigate dispersion mechanism of water-based ferrofluid, the effects of electrolytes on the dispersibility of ferrofluid in the dispersing system with different pH values were discussed. The ζ-potential of magn... To investigate dispersion mechanism of water-based ferrofluid, the effects of electrolytes on the dispersibility of ferrofluid in the dispersing system with different pH values were discussed. The ζ-potential of magnetic nano-particles was measured to discover the adsorbent state of oleate group on the surface of magnetite particles. The mechanism that coexisting electrolyte influences the dispersibility was studied. The results show that the electrolyte affects the stability of ferrofluid through an effect on the structure of surfactant bilayer adsorption, which was proved by ζ-potential measured. The associated mechanism of steric and electrostatic is dominant in aqueous ferrofluid. 展开更多
关键词 nano-magnetite ELECTROLYTE DISPERSIBILITY ζ-potential dispersion mechanism
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Studies on Electronic Structure and Magnetic Properties of an Organic Magnet with Metallic Mn^2+ and Cu^2+ Ions
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作者 YAOJian-Guo PENGGuang-Xiong 《Communications in Theoretical Physics》 SCIE CAS CSCD 2004年第5X期798-800,共3页
The electronic structure and the magnetic properties of the non-pure organic ferromagnetic compound MnCu(pbaOH)(H2O)3 with pbaOH = 2-hydroxy-1, 3-propylenebis (oxamato) are studied by using the density-functional theo... The electronic structure and the magnetic properties of the non-pure organic ferromagnetic compound MnCu(pbaOH)(H2O)3 with pbaOH = 2-hydroxy-1, 3-propylenebis (oxamato) are studied by using the density-functional theory with local-spin-density approximation. The density of states, total energy, and the spin magnetic moment are calculated. The calculations reveal that the compound MnCu(pbaOH)(H20)3 has a stable metal-ferromagnetic ground state, and the spin magnetic moment per molecule is 2.208 μB, and the spin magnetic moment is mainly from Mn ion and Cu ion. An antiferromagnetic order is expected and the antiferromagnetic exchange interaction of d-electrons of Cu and Mn passes through the antiferromagnetic interaction between the adjacent C, O, and N atoms along the path linking the atoms Cu and Mn. 展开更多
关键词 密度函数 不纯有机磁铁 电子结构 铁磁性质
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Quantum Theory for Interfacial Roughness and Angle Dependence of Giant Magnetoresistance in Magnetic Multilayers
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作者 TAOYong-Chun DONGZheng-Chan 《Communications in Theoretical Physics》 SCIE CAS CSCD 2001年第3期355-359,共5页
The giant magnetoresistance (GMR) in magnetic multilayers with current in the plane of the layers is studied by using the quantum-statistical Green's function approach, in which the effects of the interfacial roug... The giant magnetoresistance (GMR) in magnetic multilayers with current in the plane of the layers is studied by using the quantum-statistical Green's function approach, in which the effects of the interfacial roughness and magnetization configuration on the GMR are included. It is shown that the maximal GMR first increases and then decreases with increasing interfacial roughness, exhibiting a peak at an optimum value of interfacial roughness. An approximately linear dependence of GMR on is obtained, where is the angle between magnetizations of the two successive ferromagnetic layers. Furthermore, the maximal GMR is found to increase with increasing the number of bilayers. 展开更多
关键词 giant magnetoresistance interfacial roughness angle dependence Green's function magnetic multilayers
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Phase, magnetism and thermal conductivity of glass ceramics from iron ore tailings 被引量:6
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作者 陈浩 吴益文 +1 位作者 张鸿 李志成 《Journal of Central South University》 SCIE EI CAS 2014年第9期3456-3462,共7页
In order to develop the applications of ore tailings, the glass ceramics were prepared by using a conventional melting-quenching-sintering process. The phase component, microstructures, magnetic properties and thermal... In order to develop the applications of ore tailings, the glass ceramics were prepared by using a conventional melting-quenching-sintering process. The phase component, microstructures, magnetic properties and thermal conductivities of the prepared glass ceramics were investigated by using X-ray diffractometer, scanning electron microscopy, vibrating sample magnetometer and thermophysical properties tester, respectively. The results show that orthorhombic olivine-type phase and triclinic sunstone-type phase formed when the glass was annealed at 700 oC, the concentration of olivine-type and sunstone-type phases decreased, the spinel-type cubic phase occurred and the amount increased when the annealing temperatures increased. The magnetic properties from the cubic spinel ferrites were detected in the glass ceramics, and the related saturation magnetization increased with the annealing temperature increasing. The porous glass ceramics with magnetic property showed much lower thermal conductivity, compared with the non-magnetic porous glass-ceramic and the dense glass-ceramics. 展开更多
关键词 iron ore tailing glass ceramics MICROSTRUCTURE magnetic properties thermal conductivity
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Short—Time Critical Behavior Affected by Weakly Long—Range Interactions
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作者 CHENYuan LIZhi-Bing 《Communications in Theoretical Physics》 SCIE CAS CSCD 2001年第4期475-479,共5页
The theoretic renormalization group approach is applied to the study of short-time critical behavior of the Ginzburg–Landau model with weakly long-range interactions . The system initially at a high temperature is fi... The theoretic renormalization group approach is applied to the study of short-time critical behavior of the Ginzburg–Landau model with weakly long-range interactions . The system initially at a high temperature is firstly quenched to the critical temperature and then released to an evolution with a model A dynamics. A double expansion in and with of order is employed, where is the spatial dimension. The asymptotic scaling laws and the initial slip exponents and for the order parameter and the response function respectively are calculated to the second order in for close to 2. 展开更多
关键词 Ginzburg-Landau model short-time critical dynamics weakly long-range interactions
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Spin—Polarized States of Nuclear Matter
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作者 ZUOWei U.Lombardo 《Communications in Theoretical Physics》 SCIE CAS CSCD 2003年第2期219-222,共4页
The equations of state of spin-polarized nuclear matter and pure neutron matter are studied in the framework of the Brueckner–Hartree–Fock theory including a three-body force. The energy per nucleon E<SUB>A<... The equations of state of spin-polarized nuclear matter and pure neutron matter are studied in the framework of the Brueckner–Hartree–Fock theory including a three-body force. The energy per nucleon E<SUB>A</SUB>(δ) calculated in the full range of spin polarization for symmetric nuclear matter and pure neutron matter fulfills a parabolic law. In both the cases the spin-symmetry energy is calculated as a function of the baryonic density along with the related quantities such as the magnetic susceptibility and the Landau parameter G<SUB>0</SUB>. The main effect of the three-body force is to strongly reduce the degenerate Fermi gas magnetic susceptibility even more than the value with only two-body force. The equation of state is monotonically increasing with the density for all spin-aligned configurations studied here so that no any signature is found for a spontaneous transition to a ferromagnetic state. 展开更多
关键词 spin-polarized nuclear matter Brueckner-Hartree-Fock theory three-body force spin-symmetry energy
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Stabilization of Magnetite Nanoparticles by Encapsulation into the Silica Matrix
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作者 Alona Gabrene Janina Setina Inna Juhnevica Gundars Mezinskis 《Journal of Chemistry and Chemical Engineering》 2014年第1期42-46,共5页
Different methods have been investigated for the synthesis of magnetic nanoparticles. Control of the particle size, dispersion, purity and stability have been always regarded an issue. In this study magnetite (Fe304... Different methods have been investigated for the synthesis of magnetic nanoparticles. Control of the particle size, dispersion, purity and stability have been always regarded an issue. In this study magnetite (Fe304) superparamagnetic nanoparticles with a size range about 20 nm have been successfully synthesized using chemical co-precipitation method from the solution of ferrous/ferric mixed salt-solution in alkaline media in oxygen-free environment. The sol-gel method has been chose to encapsulate magnetic nanoparticles into silica matrix. The phase structures, morphologies, surface area, functional classes and magnetic properties have been characterized by X-ray diffraction, SEM and AFM, BET, FT-IR and VSM. The results showed that the resultant films, consisting of encapsulated magnetite have crack free and smooth surface with a roughness value 1.5 rim. 展开更多
关键词 MAGNETITE silica matrix NANOPARTICLES ENCAPSULATION thin film.
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BaTiO_3/γ-Fe_2O_3颗粒膜的介电性质和磁电性质
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作者 赵文喜 孙柏 +3 位作者 李小朋 沈真 刘泳宏 陈鹏 《中国科学:物理学、力学、天文学》 CSCD 北大核心 2014年第2期162-168,共7页
本文利用高真空磁控——离子束复合溅射系统在单晶n型Si(100)面上生长了Ag/[BaTiO3/?-Fe2O3]/ZnO结构的复合薄膜,对比研究了BaTiO3/γ-Fe2O3颗粒膜在真空退火温度300°C,400°C和500°C下的介电性质、磁性质以及铁电特性.... 本文利用高真空磁控——离子束复合溅射系统在单晶n型Si(100)面上生长了Ag/[BaTiO3/?-Fe2O3]/ZnO结构的复合薄膜,对比研究了BaTiO3/γ-Fe2O3颗粒膜在真空退火温度300°C,400°C和500°C下的介电性质、磁性质以及铁电特性.实验研究发现,随着退火温度的升高,样品的电容和介电常数逐渐变大,在500°C退火的样品,其电容为633.93 pF,介电常数为10.233.所有样品都具有良好的铁磁性和铁电性,其中在400°C退火的样品具有最大的饱合磁化强度103.3 emμ/cm3,而在500°C时具有最大的剩余电极化强度9.13?10?1μm/cm2.同时,在零磁场和1.0 T的磁场下,矫顽电场和剩余电极化强度都没有明显的变化.在200 K时,电滞回线却发生了明显的变化. 展开更多
关键词 BATIO3 γ-Fe2O3颗粒膜 介电性质 铁磁性质 铁电性质 退火温度
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Large magnetocaloric effect in metamagnetic HoPdAl 被引量:1
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作者 XU ZhiYi SHEN BaoGen 《Science China(Technological Sciences)》 SCIE EI CAS 2012年第2期445-450,共6页
Magnetic properties and magnetocaloric effects (MCEs) of the HoPdA1 compounds with the hexagonal ZrNiAl-type and the orthorhombic TiNiSi-type structures are investigated. Both the compounds are found to be antiferro... Magnetic properties and magnetocaloric effects (MCEs) of the HoPdA1 compounds with the hexagonal ZrNiAl-type and the orthorhombic TiNiSi-type structures are investigated. Both the compounds are found to be antiferromagnet with the Nrel tem- perature TN=12 and 10 K, respectively. A field-induced metamagnetic transition from antiferromagnetic (AFM) state to ferro- magnetic (FM) state is observed below TN. For the hexagonal HoPdA1, a small magnetic field can induce an FM-like state due to a weak AFM coupling, which leads to a high saturation magnetization and gives rise to a large MCE around TN. The maxi- mal value of magnetic entropy change (ASM) is -20.6 J/kg K with a refrigerant capacity (RC) value of 386 J/kg for a field change of 0-5 T. For the orthorhombic HoPdA1, the critical field required for metamagnetic transition is estimated to be about 1.5 T, showing a strong AFM coupling. However, the maximal ASM value is still -13.7 J/kg K around TN for a field change of 0-5 T. The large reversible ASM and considerable RC suggest that HoPdA1 may be an appropriate candidate for magnetic re- frigerant in a low temperature range. 展开更多
关键词 HoPdAI compound magnetocaloric effect metamagnetic transition
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