Stability and electronic structure studies of LaAlO_3/SrTiO_3 (110) heterostructures

The first-principles calculations are employed to investigate the stability, magnetic, and electrical properties of the oxide heterostructure of LaAlO3/SrTiO3(110). By comparing their interface energies, it is obtained that the buckled interface is more stable than the abrupt interface. This result is consistent with experimental observation. At the interface of LaAlO3/SrTiO3(110) heterostructure, the Ti–O octahedron distortions cause the Ti t2 gorbitals to split into the twofold degenerate dxz/dyz and nondegenerate dxy orbitals. The former has higher energy than the latter. The partly filled two-fold degenerate t2 gorbitals are the origin of two-dimensional electron gas, which is confined at the interface. Lattice mismatch between LaAlO3 and SrTiO3leads to ferroelectric-like lattice distortions at the interface, and this is the origin of spin-splitting of Ti 3d electrons. Hence the magnetism appears at the interface of LaAlO3/SrTiO3(110).     

Room-Temperature Anisotropic Ferromagnetism in Fe-Doped In2O3 Heteroepitaxial Films

Fe-doped In2O3 films are grown epitaxially on YSZ （100） substrates by pulsed laser deposition. The in-situ reflection high-energy electron diffraction, the atomic force microscopy, and the x-ray diffraction patterns show that the films have a well defined cubic structure epitaxially oriented in the （100） direction. Room temperature ferromagnetism is observed by an alternating gradient magnetometer. Strong perpendicular magnetic anisotropy with a remnant magnetization ratio of 0.83 and a coercivity of 2,5 kOe is revealed. Both the structural and the magnetic measurements suggest that this ferromagnetism is an intrinsic property deriving from the spin-orbit coupling between the diluted Fe atoms.     

Controlled synthesis of ferromagnetic MnSe_x particles

The MnSe_x(x = 1,2) nanoparticles were synthesized under hydrothermal condition,by reaction of the reduced selenium and Mn~(2+) ion in the presence of hydrazine and acetic acid.By precisely controlling the pH value of the solution,a series of MnSe_x particles were synthesized.The structure and morphology of as-prepared particles were examined with x-ray diffractometer(XRD),transmission electron microscopy(TEM),and scanning electron microscopy(SEM).The average sizes of as-prepared particles varied from nanoscale to microscale with pH value increase.Furthermore,the nucleation and growth mechanism associated with pH values were discussed,which can be applied to the hydrothermal synthesis of metal chalcogenide in general.Finally,the optical and magnetic properties of as-prepared particles were measured.All as-made particles exhibit a ferromagnetic behavior with low coercivity and remanence at room temperature.     

退火对高Co含量Ti1-xCoxO2磁性半导体的影响

利用磁控溅射仪制备了高Co含量的Ti_1-xCo_xO₂磁性半导体样品,并对样品分别在200℃,300℃和400℃进行退火研究.使用透射电子显微镜(TEM)对退火前后样品的结构进行表征,并用X射线光电子能谱(XPS)对退火前后样品中Co元素的化学状态进行鉴定.结果表明高Co含量的Ti_1-xCo_xO₂磁性半导体处于一种亚稳状态,300℃以上的温度便使其结构与成分发生巨大变化.利用超导量子干涉磁强计(SQUID)测量退火前后样品的磁特性,结果表明样品的磁性有了明显的变化,这源于磁性产生的不同机理. 关键词： 磁性半导体 退火 磁性     

Ferroelectric Properties of Polycrystalline Ceramics with Dipolar Defect Simulated from the Potts--Ising Model

Physical properties of polycrystailine ferroelectrics including the contributions of the fixed dipolar defects and the average grain size in the Potts-Ising model are simulated by using the Monte Carlo method. Domain pattern, hysteresis loop and switching current of the polarization reversal process are obtained. Two processes are considered in our simulation. In the first one, the grain texture of ferroelectric ceramics are produced from the Ports model, and then the Ising model is implemented in the obtained polycrystailine texture to produce the domain pattern, hysteresis loop and switching current. It is concluded that the defect has the ability to decrease the remnant polarization P~ as well as the coercive field E~. The back switching is obviously observed after the electric field is off, and it shows some variation after introducing the fixed dipolar defect. Meanwhile, the spike of the switching current is found to lower with the increasing defect concentration and the decreasing average grain size.     

混合卤化物中的极化子与双极化子

应用紧束缚双带模型对混合卤化物的电荷掺杂性质进行了计算,发现单电荷掺杂在混合卤化物中形成极化子,双电荷掺杂则形成稳定的双极化子;单体的长度和界面耦合都对极化子和双极化子的产生和稳定性有影响.混合卤化物的单体对掺杂电荷具有选择性;电子-电子相互作用并不能使形成双极化子的两个同号电荷相互排斥而形成两个单极化子.在具有电荷自发转移的材料中,混合卤化物单体对掺杂电荷没有像其他混合卤化物一样的选择性,掺杂电荷的定域位置取决于两种单体对该电荷的束缚能力. 关键词： 混合卤化物 极化子 电荷约束     

混合金属卤化物的超晶格与量子线特征

从紧束缚模型出发,发现周期性排列的两种金属卤化物材料可以形成超晶格和多量子阱(线)结构,并进一步研究了这种新型结构的性质随单体材料势垒和势阱宽度的变化规律,发现由金属卤化物形成的周期性结构表现出明显的量子阱(线)特征,对掺杂电荷的约束作用也非常强,从而证明了可以研制和开发基于金属卤化物的多量子阱(线)材料与器件. 关键词： 超晶格 量子阱 金属卤化物     

金属卤化物中的晶格振动

运用紧束缚双带模型对MX化合物晶格振动的计算发现,晶格振动谱由一条声频支和三条光频支组成,进一步得到了出现元激发时,晶格振动色散关系中的分立频率和相应的定域振动模.在MX化合物红外吸收谱的计算中发现对应不同元激发红外谱具有不同的特征. 关键词： 电荷密度波 晶格振动 红外吸收     

FeCuNbSiB单层膜和三明治膜的磁特性与巨磁阻抗效应

用射频溅射法制备了Fe_73.5Cu₁Nb₃Si_13.5B₉单层膜和 Cu或Ag作为中间层的三明治膜.溅态膜为非晶态结构.磁畴观察结果表明,单层膜在380℃退火后,呈现均匀磁化的纳米晶结构,该样品软磁特性最佳,其巨磁阻抗效应最大,在13MHz,最大磁阻抗比纵向为18％,横向为14％.溅态三明治膜具有较大的巨磁阻抗效应,在13MHz,Cu夹层三明治膜的最大磁阻抗比纵向为32％,横向为11％,Ag夹层三明治膜的最大磁阻抗比纵向为47％,横向为57％.Cu夹层三明治膜经250℃退火后,在低频下表现为巨磁电感效应,在100kHz,最大磁电感比为1733％. 关键词：     

FeSi/Si成份调制膜的二维磁性和死层效应

成功地制成了FeSi/Si非晶态成分调制膜,固定Si层厚度,系统改变FeSi层厚度d_m发现,随d_m下降,饱和磁化强度M_s单调减小,这主要是死层效应的贡献,OK下死层厚度约为5.8?,随d_m减小,调制膜逐渐由三维磁性转变为二维磁性,表现为出现低磁滞和无磁滞效应,线性的M_s(T)-T关系和Curie温度T_c的单调下降,T_c满足如下关系:△T_{c关键词：}