BiFeO3电子结构的第一性原理研究

采用广义梯度近似下的密度泛函理论计算了铁电相BiFeO3以及顺电相BiFeO3的轨道占据数、电子云重叠布居数、净电荷分布和态密度.结果表明,BiFeO3晶体现铁电性的主要原因是:Fe原子的3d轨道和O原子的2p轨道杂化.而且由于两相晶体结构上的差异,铁电相BiFeO3原子间的共价性和离子性相对顺电相BiFeO3增强了,态密度图在价带区基本相同,但是在导带区具有一定的差异性.     

掺杂钛酸钡薄膜的合成及性能研究

通过化学溶液沉积法制备的BiFeO3-BaTiO3薄膜在室温下能够同时显现铁电性及铁磁性。在600-700℃的条件下,以Pt/TiOx/SiO2/Si为载体,能够成功得到钙钛矿单相0.7BiFeO3-0.3BaTiO3薄膜。随着结晶温度上升,晶粒持续增长,最终在700℃到达更高的结晶度。由于0.7BiFeO3-0.3BaTiO3薄膜的绝缘电阻较低,它所显现的极化（P）-电场（E）磁滞回线较弱。尽管如此,由于在0.7BiFeO3-0.3BaTiO3薄膜铁的位置上添加锰,高作用场的漏电流有效地减少,最终铁电性质得到了提高。在室温下,添加了摩尔分数5%的锰的0.7BiFeO3-0.3BaTiO3薄膜同时显现铁电极化和铁磁磁化磁滞回线。     

掺杂钛酸钡薄膜的合成及性能研究

通过化学溶液沉积法制备的BiFeO3-BaTiO3薄膜在室温下能够同时显现铁电性及铁磁性。在600-700℃的条件下,以Pt/TiOx/SiO2/Si为载体,能够成功得到钙钛矿单相0.7BiFeO3-0.3BaTiO3薄膜。随着结晶温度上升,晶粒持续增长,最终在700℃到达更高的结晶度。由于0.7BiFeO3-0.3BaTiO3薄膜的绝缘电阻较低,它所显现的极化（P）-电场（E）磁滞回线较弱。尽管如此,由于在0.7BiFeO3-0.3BaTiO3薄膜铁的位置上添加锰,高作用场的漏电流有效地减少,最终铁电性质得到了提高。在室温下,添加了摩尔分数5%的锰的0.7BiFeO3-0.3BaTiO3薄膜同时显现铁电极化和铁磁磁化磁滞回线。     

不同前驱体溶液制备BiFeO_3薄膜的晶体结构及电学性质研究

BiFeO3 是技术上广泛应用的极为重要的一类多铁性材料.本文采用sol-gel法,在ITO基底上分别采用乙酸和硝酸为溶剂制备纯相BiFeO3薄膜.XRD、电滞回线与介电性分析表明,在退火温度为600℃时,两种溶液均能制备出BiFeO3晶体,相比之下,利用乙酸制备BiFeO3比较容易,且铁电性好.     

掺杂钛酸钡薄膜的合成及性能研究

通过化学溶液沉积法制备的BiFeO3-BaTiO3薄膜在室温下能够同时显现铁电性及铁磁性。在600-700℃的条件下,以Pt/TiOx/SiO2/Si为载体,能够成功得到钙钛矿单相0.7BiFeO3-0.3BaTiO3薄膜。随着结晶温度上升,晶粒持续增长,最终在700℃到达更高的结晶度。由于0.7BiFeO3-0.3BaTiO3薄膜的绝缘电阻较低,它所显现的极化（P）-电场（E）磁滞回线较弱。尽管如此,由于在0.7BiFeO3-0.3BaTiO3薄膜铁的位置上添加锰,高作用场的漏电流有效地减少,最终铁电性质得到了提高。在室温下,添加了摩尔分数5%的锰的0.7BiFeO3-0.3BaTiO3薄膜同时显现铁电极化和铁磁磁化磁滞回线。     

不同生长条件下BiFeO_3薄膜的显微拉曼光谱研究

使用显微拉曼散射技术观察了用脉冲激光沉积方法(PLD)在不同的生长条件下制备的BiFeO3薄膜的拉曼光谱,并且研究了薄膜的结构以及不同的生长条件对薄膜的结构和微结构的影响。与BiFeO3粉末的拉曼光谱比较,我们发现在N2气氛中,在LaNiO3缓冲层上沉积的BiFeO3薄膜具有单一的三方相和最完整的晶格结构。     

多铁性BiFeO_3异质结构在多场作用下物理性质研究

多铁材料BiFeO3不但具有优越的铁电特性,同时由于电、磁、光之间的耦合作用,可以实现电场控制磁化,光照控制电学性质,是研究新型多参量耦合器件的首选材料。文章介绍了作者实验室对铁电材料BiFeO3异质结构的可反转二极管效应和电致电阻效应的研究。在理论研究方面,作者考虑了金属电极的不完全屏蔽效应,提出了极化控制界面肖特基势垒高度模型,解释了金属/铁电结构/金属的可反转二极管效应。在BiFeO3/La0.7Sr0.3MnO3铁电/铁磁异质结构实验研究方面,作者研究了BiFeO3薄膜厚度对体系电学和磁学性质的影响,实现了在光、电双场调控下研究Au/BiFeO3/La0.7Sr0.3MnO3/SrTiO3体系的光、电性质,可为以后研究多参量对器件性能的影响提供参考。     

BiFeO3光伏效应研究进展

BiFeO3是一个典型的多铁性材料,是凝聚态物理研究领域的热点之一,在信息存储、自旋电子学以及传感器等方面具有诱人的应用前景.近两年来,多铁材料的光电特性引起了人们的广泛关注,许多问题有待于深入研究和探索.本文综述了近年来多铁材料BiFeO3在光伏领域的研究进展,讨论了铁电极化场、电极界面肖特基势垒以及铁电畴结构对BiFeO3光伏特性的影响规律.     

Investigation on dependence of BiFeO3 dielectric property on oxygen content

The influence of oxygen content on the dielectric property of BiFeO3 ceramics is studied by experiment and firstprinciples calculation.The experimental result demonstrates that the dielectric constant of BiFeO3 is strongly dependent on introduced oxygen and oxygen vacancies.By comparison with BiFeO3,the introduced oxygen and oxygen vacancies can lead to a reduction in dielectric constant of BiFeO δ at a lower frequency.The first-principles calculation also shows a similar result when photon energy is in a range of 2.0-4.1 eV.A likely explanation is that this oxygen content dependence may be ascribed to the distortion of Fe-O octahedron structure due to oxygen vacancies or excess oxygen ions in the crystal structure of BiFeO3.     

La-doped BiFe03： Synthesis and multiferroic property study

A new sol-foam-gel method was developed to fabricate La-doped BiFeO3 muttiferroic materials. It was demonstrated that a gradual increase in the content of La-doped into BiFeO3 results in its structure changing from rhombohedral to orthorhombic. A study of other property changes indicates that La-doping in BiFeO3 enhances its ferromagnetism and ferroelectricity. A temperature-dependent magnetization study suggests that the magnetic property of La-doped BiFeO3 samples varied from antiferromagnetic to ferromagnetic as the content of La-doped into BiFeO3 increased from 0 to 20%. Unique temperature-dependent zero field cooling （ZFC） and field cooling （FC） magnetization behaviors were observed in 15% La-doped BiFeO3 -- its ZFC temperature-dependent magnetization being ferromagnetic and its FC temperature- dependent magnetization being antiferromagnetic. A possible mechanism of such an interesting M-T behavior is discussed.     

不同磁场下退火的纳米BiFeO3颗粒的拉曼散射研究

对不同外磁场强度(B = 0T, 5T和10T)下退火的纳米BiFeO3颗粒进行了室温和液氮温度下的拉曼光谱研究。实验发现, 与0T磁场下退火样品的Raman光谱相比, 同一温度下, 纳米BiFeO3颗粒中的Raman振动模式峰的线宽随着磁场的增加而减小, 表明在外磁场的作用下, 纳米BiFeO3颗粒内部的缺陷在减少,晶格完整性得到改善。经外磁场处理的纳米BiFeO3颗粒位于139 cm-1处的A-1模式峰明显向紫端移动, 说明磁有序的程度可以影响到声子-自旋耦合。5T和10T磁场下退火的样品相比, 该峰峰位没有明显改变, 说明影响样品中磁有序排列的磁场存在一个临界值。三块样品的低温拉曼光谱证实了磁场的作用确实影响样品内磁有序的排列。     

Spin wave measurements over the full Brillouin zone of multiferroic BiFeO3

Using the inelastic neutron scattering technique, we measured the spin wave dispersion over the entire Brillouin zone of room temperature multiferroic BiFeO(3) single crystals with magnetic excitations extending to as high as 72.5 meV. The full spin waves can be explained by a simple Heisenberg Hamiltonian with a nearest-neighbor exchange interaction (J=4.38 meV), a next-nearest-neighbor exchange interaction (J'=0.15 meV), and a Dzyaloshinskii-Moriya-like term (D=0.107 meV). This simple Hamiltonian determined, for the first time, for BiFeO(3) provides a fundamental ingredient for understanding the novel magnetic properties of BiFeO(3).     

Improved multiferroic properties of La-doped 0.6BiFeO₃-0.4SrTiO₃ solid solution ceramics

The 0.6(Bi1-xLax)FeO 3-0.4SrTiO 3(x = 0,0.1) multiferroic ceramics are prepared by a modified Pechini method to study the effect of substitution of SrTiO3 and La in BiFeO3.The X-ray diffraction patterns confirm the single phase characteristics of all the compositions each with a rhombohedral structure.The magnetic properties of the ceramics are significantly improved by a solid solution with SrTiO3 and substitution of La.The values of the dielectric constant ε r and loss tangent tan δ of all the samples decrease with increasing frequency and become constant at room temperature.The La-doped 0.6BiFeO3-0.4SrTiO3 ceramics exhibit improved dielectric and ferroelectric properties,with higher dielectric constant enhanced remnant polarization(Pr) and lower leakage current at room temperature.Compared with a anti-ferromagnetic BiFeO3 compound,the 0.6(Bi0.9La0.1)FeO3-0.4SrTiO3 sample shows the optimal ferromagnetism with remnant magnetization M r ～ 0.135 emμ/g and ferroelectricity with Pr ～ 5.94 μC/cm 2 at room temperature.     

Conduction through 71° domain walls in BiFeO3 thin films

Local conduction at domains and domain walls is investigated in BiFeO(3) thin films containing mostly 71° domain walls. Measurements at room temperature reveal conduction through 71° domain walls. Conduction through domains could also be observed at high enough temperatures. It is found that, despite the lower conductivity of the domains, both are governed by the same mechanisms: in the low voltage regime, electrons trapped at defect states are temperature activated but the current is limited by the ferroelectric surface charges; in the large voltage regime, Schottky emission takes place and the role of oxygen vacancies is that of selectively increasing the Fermi energy at the walls and locally reducing the Schottky barrier. This understanding provides the key to engineering conduction paths in BiFeO(3).     

Influence of the Multiplet Levels of Sm3+ and Eu3+ on the Heat Capacity of Multiferroic BiFeO3

Physics of the Solid State - The temperature dependence of the heat capacity of multiferroics BiFeO3, Bi0.90Sm0.10FeO3, and Bi0.90Eu0.10FeO3 has been investigated. It is found that the substitution...     

高温原位拉曼光谱研究BiFeO3陶瓷反应烧结相变过程

多铁性材料BiFeO3(BFO)由于具有潜在的磁电耦合效应而备受关注,但纯相陶瓷的制备始终是一个难点,部分原因在于对其反应烧结相变规律的认识尚不充分。高温原位拉曼光谱技术(HT-Raman)是表征复杂的固体相变及反应的有力手段。首次利用HT-Raman,研究了不同配比(1∶1, 1.03∶1和1.05∶1)的Bi2O3-Fe2O3在不同升降温速率(10和100℃·min-1)下的反应烧结相变过程,以及降温时反应产物的收缩效应。结果表明:Bi2O3-Fe2O3反应烧结生成BiFeO3的过程中,会产生中间过渡相Bi2Fe4O9和Bi25FeO39∶Bi2O3-Fe2O3配比为1.03∶1、升降温速率较快时,产物中杂相含量最少,可见Bi过量及较快的升降温速率能有效抑制杂相的生成。降温过程中,发现BFO的A1-1峰位随着温度降低发生蓝移,且二者呈良好的线性关系,这说明降温过程中BFO仅因温度变化产生晶格收缩,并没有结构相变。此外,还利用二维X射线衍射(2D-XRD)及背散射电子衍射(EBSD),表征了烧结产物的相组成及形貌。XRD结果也显示Bi过量时杂相含量较少,与拉曼结果一致。结合2D-XRD和EBSD的结果可知, Bi过量时烧结产物晶粒尺寸较大且均一,可见快速升降温有利于晶粒的成核与生长。研究结果可帮助进一步认清反应烧结规律,并指导纯相BiFeO3基陶瓷的制备。     

Mechanisms of exchange bias with multiferroic BiFeO3 epitaxial thin films

We have combined neutron scattering and piezoresponse force microscopy to show that the exchange field in CoFeB/BiFeO_{3} heterostructures scales with the inverse of the ferroelectric and antiferromagnetic domain size of the BiFeO3 films, as expected from Malozemoff's model of exchange bias extended to multiferroics. Accordingly, polarized neutron reflectometry reveals the presence of uncompensated spins in the BiFeO3 film at the interface with CoFeB. In view of these results, we discuss possible strategies to switch the magnetization of a ferromagnet by an electric field using BiFeO3.     

Structural, spectroscopic, magnetic and electrical characterization of Ca-doped polycrystalline bismuth ferrite, Bi(1-x)Ca(x)FeO(3-x/2) (x ≤ 0.1)

The crystal structure and physical properties of multiferroic polycrystalline Ca(2+)-doped BiFeO(3) samples have been investigated. The present experimental investigation suggests that Bi(1-x)Ca(x)FeO(3-x/2) (x ≤ 0.1) can be considered as a solid solution between BiFeO(3) and CaFeO(2.5). The oxidation state of Fe in these materials is + 3 and charge balance occurs through the creation of oxygen vacancies. For each composition, two structural phase transitions are revealed as anomalies in the variable-temperature in situ x-ray diffraction data which is consistent with the well-established high-temperature structural transformation in pure BiFeO(3). All compositions studied show antiferromagnetic behaviour along with a ferromagnetic component that increases with Ca(2+) doping. The resistivities of the Bi(1-x)Ca(x)FeO(3-x/2) samples at room temperature are of the order of 10(9) Ω cm and decrease with increasing Ca(2+) content. Arrhenius plots of the resistivity show two distinct linear regions with activation energies in the range of 0.4-0.7 and 0.03-0.16 eV. A correlation has been established between the critical temperatures associated with the structural phase transitions and the multiferroic properties. A composition of x = 0.085 is predicted to show maximum magneto-electric coupling.     

不同La掺杂浓度的BiFeO_3的结构性质的显微拉曼光谱研究

使用显微拉曼散射技术研究不同的La掺杂浓度对BiFeO3(Bi1-xLaxFeO3,x=0,0.1,0.2,0.3,0.6,0.8和1.0)的结构性质的影响。拉曼光谱的变化证明了在Bi1-xLaxFeO3中,随着La含量的增加,其结构从三方相变成正交相。引人注目的是,位于610 cm-1附近的拉曼峰和它的二阶峰依然存在,并且随着La掺杂量的增加发生明显的增强。这一现象与BiFeO3在三方相结构存在的螺旋自旋结构被破坏有关。我们的实验证实了在Bi1-xLaxFeO3材料中存在着强烈的自旋-声子相互作用,这对于理解Bi1-xLaxFeO3材料的结构与物性之间的关系提供有用的信息。