Role of oxygen vacancies in the origin of ferromagnetism in Mn‐doped ZnO

The relationship between the oxygen vacancy and ferromagnetism in Mn‐doped ZnO has been studied based on the first‐principles calculations. Three possible charge states of oxygen vacancies, i.e., neutral (V_O⁰), 1+ (V_O¹⁺) and 2+ (V_O²⁺) are considered. Results show that the lattice relaxations around oxygen vacancies are large difference under different charge states. It is found that V_O¹⁺ and V_O²⁺ oxygen vacancies induce ferromagnetism. However, Mn‐doped ZnO system shows ferromagnetism with V_O⁰ oxygen vacancies in hydrogenated environment, the ferromagnetism is attributed to the interstitial H, which forms a bridge bond and mediates d ‐d coupling and stabilizes the ferromagnetic state. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

三元化合物ZnVSe2半金属铁磁性的第一性原理计算

采用基于密度泛函理论(DFT)框架下的第一性原理平面波赝势(PWP)方法,结合广义梯度近似(GGA),对三元化合物ZnVSe₂晶体的电子结构进行了计算,分析了ZnVSe₂晶体自旋极化的能带结构、电子态密度、电荷布居、磁矩等.计算结果表明,三元化合物ZnVSe₂会产生自旋极化状态,能带结构和态密度显示为半金属特征,表现出显著的铁磁性行为,具有高达近100%的传导电子自旋极化率,其半金属能隙为0.443eV,理论预测其可能是一种具有一定应用潜能 关键词： 2')" href="#">ZnVSe₂ 平面波赝势方法 半金属铁磁性 第一性原理     

Mn、Cu共掺ZnO磁性的研究

本文采用水热法,分别以ZnO、Zn(OH)2为前驱物,添加一定量的MnCl4.4H2O和CuSO4.2H2O, 3mol/LKOH作矿化剂,温度430℃,填充度35%,反应24h,制备了Mn、Cu共掺ZnO晶体。当前驱物为Zn(OH)2时,所得晶体大部分为短柱状晶体,显露正负极面{0001}、{0001-}、负锥面-p{101-1-}和柱面m{1-010},长度约为30 ～50μm。少部分晶体为单锥六棱柱状,显露正锥面p{101-1},柱面m{1-010},负极面-c{0001-},晶体的长度约为100μm,长径比为5:1。当ZnO用作前驱物时,短柱状晶体长度大约为10 ～30μm,晶体的六棱对称性都出现较大的偏差。X射线荧光能谱分析表明,前驱物为ZnO、Zn(OH)2时,Mn离子含量在分别为3.19%和1.62%原子分数,没有检测到Cu离子。虽然Mn、Cu离子的掺入会明显影响晶体形态,磁性测量显示掺杂Mn、Cu的ZnO仍为反铁磁。     

Ti1－xCoxO2铁磁性半导体薄膜研究

利用射频磁控反应溅射制备了Ti1-xCoxO2薄膜样品.超导量子干涉仪(SQUID)测量了样品在常温，低温下的磁特性.结果显示样品在常温下已经具有明显的铁磁性.常温时其矫顽力32×103A/m,饱和磁化强度55emu／cm3磁性元素的磁矩达0679μB／Co.饱和场12×104A/m.x射线衍射(XRD)和x射线光电子能谱(XPS)实验分析初步表明样品中没有钴颗粒. 关键词： 铁磁半导体 TiO2 薄膜     

Ge纳米结构的形貌与铁磁性研究

利用等离子体增强化学气相沉积技术制备了厚度不同的Ge薄膜, 随着样品厚度的减小, 样品表现出了室温铁磁性. 厚度为12 nm样品经过300 ℃退火后, 由于颗粒细化, 颗粒之间的界面增加, 界面缺陷增加, 样品表现出最大的铁磁性 (50 emu/cm³). 场冷却和零场冷却曲线测试表明居里温度约为350 K. 进行600 ℃退火后, 颗粒团聚, 样品的铁磁性最小. 当样品厚度进一步减小为6 nm时, 沉积态样品表现出铁磁性和顺磁性共存. 对6 nm厚的样品进行300 ℃退火后, 样品只具有铁磁性. 进行600 ℃退火后, 样品却只具有顺磁性. 12 nm 和6 nm 厚的Ge纳米结构薄膜随退火温度变化表现出不同的磁性规律, 我们认为是由于样品的颗粒大小和颗粒分布不同造成的. 样品越薄, Si基底与Ge薄膜之间的界面缺陷越明显, 界面缺陷以及Ge颗粒之间的界面缺陷为样品提供了未配对电子, 未配对电子的铁磁性耦合强度与样品颗粒的分布以及颗粒之间的结合有一定的关系. 颗粒之间分散或颗粒之间的融合程度大都将会降低样品的铁磁性.     

半金属磁性材料研究进展

半金属材料是一种新型的功能自旋电子学材料，是一种具有特殊能带结构的物质，近年来13益受到人们的关注。半金属材料从微观上具有导体和绝缘体双重性质：对一种自旋取向的电子其能带结构呈现金属性，而另一自旋取向的电子其能带结构呈现绝缘体性．文章着重对Half—Heusler结构半金属材料、CrO2铁磁半金属、Fe3O4亚铁磁材料半金属、反铁磁材料半金属和钙钛矿及双钙钛矿半金属的结构特性进行分析和综述，并对半金属材料的应用原理和应用前景作了阐述。     

Quantum spin-glass transition in the two-dimensional electron gas

We discuss the possibility of spin-glass order in the vicinity of the unexpected metallic state of the two-dimensional electron gas in zero applied magnetic field. An average ferromagnetic moment may also be present, and the spin-glass order then resides in the plane orthogonal to the ferromagnetic moment. We argue that a quantum transition involving the destruction of the spinglass order in an applied in-plane magnetic field offers a natural explanation of some features of recent magnetoconductance measurements. We present a quantum field theory for such a transition and compute its mean field properties.     

Spin- and angle-resolved photoelectron spectroscopy from solid surfaces with circularly polarized light

Spin-polarized photoemission with circularly polarized light represents a relatively new technique in surface science. It became feasible with the increased availability of circularly polarized light in the vacuum ultraviolet and soft X-ray regime, generated in dedicated synchrotron radiation facilities. Another important ingredient was the development of efficient electron spin polarization detectors. Supported by group theoretical considerations, this technique was first employed to study the process of optical spin orientation in single crystalline non-magnetic materials. In these samples, spin-dependent effects arise solely from spin-orbit coupling. The experiments revealed the strong influence of spin-orbit coupling on the details of the electronic band structure, such as the symmetry character of the electronic wave functions, hybridization phenomena, and the behavior of degeneracies. The results opened the way to a detailed understanding of the electronic structure and permit a rigorous test of both state-of-the-art bulk band theories and fully relativistic photoemission calculations. Since 1990, spin-polarized photoemission with circularly polarized light is also used to investigate ferromagnetic systems. These experiments led to the discovery of the counterpart of optical spin orientation in ferromagnets, namely, the magnetic dichroisms. Magnetic dichroism means that the spin-dependent photoexcitation from a ferromagnetically ordered system manifests itself already in the photoelectron intensity distributions. Because of this particular property, techniques based on magnetic dichroisms are currently receiving wide interest in the spectroscopic investigation of magnetic systems and phenomena.

The following article reviews the current status of the field of spin- and angle-resolved photoemission from solids using circularly polarized radiation. We survey the development of this technique over the last 10 years, covering its applications to both non-magnetic and ferromagnetic systems.     

Stability of ferromagnetism in Hubbard models with nearly flat bands

Whether spin-independent Coulomb interaction in an electron system can be the origin of ferromagnetism has been an open problem for a long time. Recently, a constructive approach to this problem has been developed, and the existence of ferromagnetism in the ground states of certain Hubbard models was established rigorously. A special feature of these Hubbard models is that their lowest bands (in the corresponding single-electron problems) are completely flat. Here we study models obtained by adding small but arbitrary translation-invariant perturbation to the hopping Hamiltonian of these flat-band models. The resulting models have nearly flat lowest bands. We prove that the ferromagnetic state is stable against a single-spin flip provided that Coulomb interactionU is sufficiently large. (It is easily found that the same state is unstable against a single-spin flip ifU is small enough.) We also prove upper and lower bounds for the dispersion relation of the lowest energy eigenstate with a single flipped spin, which bounds establish that the model has healthy spin-wave excitation. It is notable that the (local) stability of ferromagnetism is proved in nonsingular Hubbard models, in which we must overcome competition between the kinetic energy and the Coulomb interaction. We also note that this is one of the very few rigorous and robust results which deal with truly non-perturbative phenomena in many-electron systems. The local stability strongly suggests that the Hubbard models with nearly flat bands have ferromagnetic ground states. We believe that the present models can be studied as paradigm models for (insulating) ferromagnetism in itinerant electron systems.     

Magnetic organometallosiloxanes

The generalized analysis of a change in magnetic properties of organometallosiloxanes as a function of the number of metal atoms in their molecules (on going from mono- and binuclear to polynuclear crystalline and polymeric compounds) is presented. The relation between the magnetic characteristics and structural parameters of metal-containing fragments is studied. The factors affecting the formation of exchange-coupled ionic pairs and clusters in polymeric systems are analyzed. The ways to the organization of magnetic phases in polymeric systems are considered: the choice of conditions of chemical synthesis, the organization of metal atoms in a common spin system upon incorporation of conducting coordinating additives, and thermocondensation and reduction processes leading to the formation of a metallic phase dispersed in a silicon dioxide matrix. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1432–1442, August, 1997.