半金属磁性材料

半金属材料的一个重要特征为具有高达100%的传导电子自旋极化率。半金属磁性材料是一种具有极大的应用潜能的自旋电子学材料。本文从半金属性的来源、材料的晶体结构、半金属的电子态和电磁特性等不同角度对半金属材料进行了系统分类。对现已发现的几种半金属材料的基本性质和原子结构特征进行了综述。分别对5种传导电子自旋极化率的测量方法进行了分析和讨论。     

半金属磁性材料

半金属材料的一个重要特征为具有高达100%的传导电子自旋极化率。半金属磁性材料是一种具有极大的应用潜能的自旋电子学材料。本文从半金属性的来源、材料的晶体结构、半金属的电子态和电磁特性等不同角度对半金属材料进行了系统分类。对现已发现的几种半金属材料的基本性质和原子结构特征进行了综述。分别对5种传导电子自旋极化率的测量方法进行了分析和讨论。     

Heusler合金中近半金属性质的讨论:一种近半金属性质评估标准

如今在Heusler合金中发现了众多适用于自旋电子学领域的半金属材料及自旋无隙半导体,与此同时也伴随发现了一系列不能简单归类为半金属或金属的材料.为了促进这些化合物在自旋电子学领域的应用,本文提出了一种关于Heusler合金中近半金属性质的评估标准,即当一种材料的带隙在费米能级附近0.30 eV或0.2个电子态以内,具有一定的磁矩且没有高的电导时,可以判定其为近半金属材料.这项标准能够帮助Heusler合金在自旋电子学领域得到更全面地应用,并举一些示例加以说明.     

与半导体相容的半金属铁磁体

文章在自旋电子学与新型计算机元件的背景下介绍了与半导体相容的半金属铁磁体，及其实验和理论研究进展情况．指出其中半稳能量低并且稳定性好的理论预测材料有可能不久通过外延方式在合适的基底上生长出来，并且得到实际应用．     

3d过渡金属磷系化合物半金属铁磁性的第一性原理研究

在基于密度泛函理论(DFT)的广义梯度近似(GGA)下,采用第一性原理平面波赝势(PWP)方法,对3d过渡金属磷系闪锌矿结构的化合物XY(X=V、Cr、Mn,Y=P、As、Sb)的电子结构进行了计算,通过分析它们的能带结构、态密度、磁矩等,发现除闪锌矿结构的化合物MnP和MnAs不是真正的半金属铁磁体外,其余闪锌矿结构的化合物在能带结构和态密度均体现出半金属特征.     

拓扑狄拉克半金属

<正>拓扑狄拉克半金属是一种全新的奇特拓扑量子材料。这种材料的体电子形成了三维的狄拉克锥结构,所以可以看作是"三维的石墨烯"。另外,由于这种材料的电子结构具有非平庸的拓扑性质,它也有和拓扑绝缘体类似的表面态。这些独特的电子结构在最近的高分辨光电子谱实验中得到了证实。封面图中是Na3Bi,第一个被实验证实的三维拓扑狄拉克半金属的能带结构:内部的线     

Half-metallic ferromagnetism in C-doped zinc-blende ZnO: A first-principles study

We perform a first-principles study of electronic structure and magnetism of C-doped zinc-blende ZnO using the full-potential linearized augmented plane wave method. Results show that C-doped zinc-blende ZnO exhibits half-metallic ferromagnetism with a stable ferromagnetic ground state. The calculated magnetic moment of the 32-atom supercell containing one C dopant is 2.00 μ B , and the C dopant contributes most. The calculated low formation energy suggests that C-doped zinc-blende ZnO is energetically stable. The hole-mediated double exchange mechanism can be used to explain the ferromagnetism in C-doped zinc-blende ZnO.     

Ferromagnetism,half-metallicity and spin-polarised electronic structures characterisation insights in Ca1−xTixO

ABSTRACT

In this study, we have computed the structural, electronic and half-metallic ferromagnetic properties of Ca_1?xTi_xO compounds at concentrations x?=?0.125, 0.25, 0.5 and 0.75 by employing the first-principle approaches of density functional theory. The generalised gradient approximation of Wu and Cohen (GGA-WC) is used to calculate the structural parameters, whereas the electronic structures and magnetic properties are characterised by the accurate Tran–Blaha-modi?ed Becke–Johnson potential (TB-mBJ). The lattice constant, bulk modulus and indirect gap of CaO are in good agreement with other theoretical and experimental results. The Ca_0.25Ti_0.75O at x?=?0.75 has metallic ferromagnetic nature. The Ca_0.875Ti_0.125O, Ca_0.75Ti_0.25O and Ca_0.50Ti_0.50O compounds have total magnetic moments of 2?μ_B per Ti atom with a half-metallic character, a spin polarisation of 100% and a large half-metallic gap of 1.345?eV for x?=?0.125. Therefore, the Ca_1?xTi_xO material with a low concentration of Ti is a true half-metallic ferromagnet and seems to be a promising candidate for semiconductor spintronics.     

铁磁材料GdN的电子结构和磁学性质的理论研究

作为寻找新型自旋电子学功能材料的尝试，文章详细研究了稀土化合物GdN的电子结构和磁学性质，通过第一性原理的理论计算，作者发现该材料的导电性质随体积增加有很大变化：从半金属态到准金属态，最后成为半导体．同时，施加压力能改变其载流子浓度和位于多数自旋态的电子和空穴的迁移率．对其磁交换参数随品格常数变化的进一步研究和蒙特卡罗模拟表明，这个铁磁体系的居里温度可以通过加压或掺杂得到进一步提高，从而成为很有实用价值的自旋电子材料．     

铁磁材料GdN的电子结构和磁学性质的理论研究

作为寻找新型自旋电子学功能材料的尝试,文章详细研究了稀土化合物GdN的电子结构和磁学性质.通过第一性原理的理论计算,作者发现该材料的导电性质随体积增加有很大变化：从半金属态到准金属态,最后成为半导体.同时,施加压力能改变其载流子浓度和位于多数自旋态的电子和空穴的迁移率.对其磁交换参数随晶格常数变化的进一步研究和蒙特卡罗模拟表明,这个铁磁体系的居里温度可以通过加压或掺杂得到进一步提高,从而成为很有实用价值的自旋电子材料.     

Negative refraction in ferromagnetic materials under external magnetic field: a theoretical analysis

We present a detailed theoretical analysis on the possibilities and conditions for negative permeability and negative refraction occuring in the magnetic materials with both pronounced magnetic and dielectric responses to electromagnetic waves. The results indicate that the permeability is always positive for $\de=(2q+0.5)\pi$ ($\de$ is the initial phase difference of magnetic components $h_{x}$ and $h_{y }$ of incident electromagnetic wave, $q$ is integer), which means that it is difficult to realize negative refraction. However, for $\de=2q\pi, \de=(2q+1)\pi$, or $\de=(2q-0.5)\pi$, the negative permeability occurs at some range of free procession frequency, which means that the refraction can become negative under certain conditions. Further analysis reveals that for general positive permittivity there are various opportunities for realizing the negative refraction provided that some requirements are met. One concludes also that the refractive index for $\de=2q\pi$ case is similar to $\de=(2q+1)\pi$. The only difference between two cases of $\de=2q\pi$ and $\de=(2q+1)\pi$ is that the $x$-direction for $\de=2q\pi$ corresponds to the $y$-direction for $\de=(2q+1)\pi$, and the $y$-direction for $\de=2q\pi$ corresponds to the $x$-direction for $\de=(2q+1)\pi$. The results are valuable for designing and analysing the complex negative refraction of magnetic materials.     

Spin-flip process through double quantum dots coupled to two half-metallic ferromagnetic leads

We investigate the spin-flip process through double quantum dots coupled to two half-metallic ferromagnetic leads in series. By means of the slave-boson mean-field approximation, we calculate the density of states in the Kondo regime for two different configurations of the leads. It is found that the transport shows some remarkable properties depending on the spin-flip strength. These effects may be useful in exploiting the role of electronic correlation in spintronics.     

Spin-flip process through double quantum dots coupled to two half-metallic ferromagnetic leads

We investigate the spin-flip process through double quantum dots coupled to two half-metallic ferromagnetic leads in series. By means of the slave-boson mean-field approximation, we calculate the density of states in the Kondo regime for two different configurations of the leads. It is found that the transport shows some remarkable properties depending on the spin-flip strength. These effects may be useful in exploiting the role of electronic correlation in spintronics.     

Half-metallic behaviour in doped TiO2 (rutile) with double impurities: ab initio calculation

Dilute magnetic oxides are without doubt among the most interesting classes of magnetic materials. However, the nature of their electronic structure and magnetic exchange is far from understood. Here, we apply the ab initio augmented spherical wave (ASW) method, with corrected generalised gradient approximation to study the electronic structure and magnetic properties of doped TiO₂ rutile with double impurities. The study reveals a half-metallic ferromagnetic behaviour for Ti_1?2x Cr _x Mo _x O₂, and the local magnetic moments of the impurities and their oxidation states agree with the charge transfer between Cr and Mo, which would lead to the ferromagnetic state through the double-exchange mechanism in transition metal oxides.     

The influence of annealing on the bimodal distribution of blocking temperatures of exchange biased bilayers

The exchange bias effect at the interface between antiferromagnetic (AFM) and ferromagnetic (FM) layers is of paramount importance in state‐of‐the‐art spintronic devices. However, a complete account of the physics behind exchange bias remains elusive and new effects are constantly unraveled. In particular, a bimodal distribution of blocking temperatures $ (T_{\rm B})$ was recently discovered, associated with the bulk of the AFM layer and interfacial AFM/FM regions with spin‐glass‐like properties. Here we study exchange bias in MnIr (25, 60 Å)/CoFe (50 Å) bilayers annealed at high temperatures (623 K and 673 K). We observe, for all samples and annealing temperatures, the existence of a large exchange bias variation at low temperatures associated with interfacial disorder. Such variation is more significative in the thinnest samples, where it is found to be independent on annealing temperature. On the other hand, in the thickest samples the contribution of the low temperature distribution largely increases with annealing temperature, due to enhanced disorder arising from Mn diffusion. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)