Contrasting growth modes of Mn on Ge(100) and Ge(111) surfaces: subsurface segregation versus intermixing

Based on first-principles total energy calculations within density functional theory, we show that a low dose of Mn on Ge(100) initiates in a novel subsurface growth mode, characterized by easy access to, and strong preference for, interstitial sites located between the two topmost Ge layers. Strikingly, such a "subsurfactant action" is preserved even during epitaxial growth of additional Ge layers, analogous to the well-known phenomenon of surfactant action. In contrast, along the [111] orientation, Mn can easily diffuse into the bulk via interstitial sites. These results are discussed within the context of dopant control in dilute magnetic semiconductors.     

Dopant-assisted concentration enhancement of substitutional Mn in Si and Ge

The influence of p- and n-type electronic dopants on Mn incorporation in bulk Si and Ge is studied using first-principles calculations within density functional theory. In Si, it is found that the site preference of a single Mn atom is reversed from interstitial to substitutional in the presence of a neighboring n-type dopant. In Ge, a Mn atom is more readily incorporated into the lattice when an n-type dopant is present in its immediate neighborhood, forming a stable Mn-dopant pair with both impurities at substitutional sites. A detailed analysis of the magnetic exchange interactions between such pairs reveals a new type of magnetic anisotropy in both systems.     

Be,Mg,Mn掺杂CuInO_2形成能的第一性原理研究

研制开发新型的光电材料对促进社会经济发展具有重要的科学意义和实用价值.利用宽禁带CuInO_2铟基材料实现全透明光电材料是目前深入研究的热点.通过基于密度泛函的第一性原理计算方法,本文计算出掺杂元素Mg, Be, Mn在CuInO_2的形成能.计算结果表明,施主类缺陷(如掺杂元素替代Cu原子或进入间隙位置)由于较高的形成能和较深的跃迁能级,很难在CuInO_2材料中出现N型导电;而受主缺陷中,在氧原子化学势极大的情况下, Mg原子替代In能成为CuInO_2理想的受主缺陷.计算结果可为制备性能优异的CuInO_2材料提供指导.     

Si/Gen/Si(001)异质结薄膜的掠入射荧光X射线吸收精细结构研究

利用掠入射荧光X射线吸收精细结构(XAFS)方法研究了在400℃的温度下分子束外延生长的Si/Ge_n/Si(001)异质结薄膜(n=1，2，4和8个原子层)中Ge原子的局域环境结构.结果表明，在1至2个Ge原子层(ML)生长厚度的异质结薄膜中，Ge原子的第一近邻配位主要是Si原子.随着Ge原子层厚度增加到4ML，Ge原子的最近邻配位壳层中的Ge-Ge配位的平均配位数增加到1.3.当Ge原子层厚度增加到8ML时，第一配位壳层中的Ge-Ge配位占的比例只有55%.这表明在400℃的生长条件下，Ge原子有很强的迁移到Si覆盖层的能力.随着Ge层厚度从1 增加到2，4和8ML，Ge原子迁移到Si覆盖层的量由0.5ML分别增加到1.5，2.0和3.0ML.认为在覆盖Si过程中Ge原子的迁移主要是通过产生Ge原子表面偏析来降低表面能和Ge层的应变能. 关键词： XAFS n/Si(001)异质膜')" href="#">Si/Ge_n/Si(001)异质膜 迁移效应     

Electronic Structure And Magnetism of Novel Diluted Magnetic Semiconductors CdGeP 2 : Mn and ZnGeP 2 : Mn

Chalcopyrite II-IV-V 2 semiconductors CdGeP 2 : Mn and ZnGeP 2 : Mn are new types of diluted magnetic semiconductors (DMSs). Since their ferromagnetic Curie temperatures are much higher than room temperature, these DMSs are good candidates for materials to be used in spintronics devices. Their electronic and magnetic structures have been investigated using the first-principles calculations based on the Korringa-Kohn-Rostoker coherent-potential-approximation and local-density-approximation (KKR-CPA-LDA) methods. When Cd or Zn atoms are substituted by Mn atoms, the ground state magnetic structure is spinglass-like. On the other hand, if Mn atoms substitute Ge atoms, the system becomes ferromagnetic through the double-exchange mechanism. However, the calculation of the formation energies shows that this system is not energetically favorable. Instead, the system with vacancies (Cd, Vc, Mn)GeP 2 or a non-stoichiometric (Cd, Ge, Mn)GeP 2 are also ferromagnetic and, moreover, energetically stable. We conclude that either of these variants possess a ferromagnetic phase of the kind CdGeP 2 : Mn. Similar conclusions are obtained for ZnGeP 2 : Mn.     

Diffusion of Ge below the Si(100) surface: theory and experiment

We have studied diffusion of Ge into subsurface layers of Si(100). Auger electron diffraction measurements show Ge in the fourth layer after submonolayer growth at temperatures as low as 500 degrees C. Density functional theory predictions of equilibrium Ge subsurface distributions are consistent with the measurements. We identify a surprisingly low energy pathway resulting from low interstitial formation energy in the third and fourth layers. Doping significantly affects the formation energy, suggesting that n-type doping may lead to sharper Si/Ge interfaces.     

Comparison between atomic layer epitaxy grown and molecular beam epitaxy grown CdTe/MnTe superlattices: a structural and optical study

Atomic layer epitaxy (ALE) is investigated for the growth of CdTe/MnTe superlattices. A systematic structural characterization (X-ray diffraction, transmission electron microscopy), together with a magneto-optical study (reflectivity and photoluminescence), demonstrate that: for MnTe ALE, all deposited Mn atoms are incorporated, so that no autoregulated growth mode can be obtained, in contrast with CdTe ALE, atomic layer epitaxy allows well-controlled CdTe/MnTe superlattices to be achieved but does not prevent the exchange between Cd and Mn atoms which occurs at the interfaces between CdTe and MnTe, as observed in CdTe/MnTe superlattices grown by conventional molecular beam epitaxy.     

Combinatorial synthesis and characterization of a ternary epitaxial film of Co and Mn doped Ge (0 0 1)

We report combinatorial molecular beam epitaxy synthesis and properties of a ternary epitaxial film of Co and Mn co-doped Ge grown on Ge (0 0 1) substrate. Structural effects were examined in situ by reflection high-energy electron diffraction and ex situ by microbeam X-ray diffraction techniques, and magnetic properties were probed by using magnetooptic Kerr effect. Ternary epitaxial phase diagrams have been studied for total doping concentrations up to 30 at.%, where regions of coherent epitaxy and rough disordered growth and those of near room temperature ferromagnetic ordering have been identified.     

Unusual Anomalous Hall Effect in a Co_2MnSi/MnGa/Pt Trilayer

An ultra-thin Co_2MnSi(0.5 nm)/Mn Ga(1.5 nm) bilayer capped with Pt(5 nm) has been successfully grown by molecular-beam epitaxy.It is a potential candidate of synthetic antiferromagnets due to antiferromagnetic coupling between Co_2MnSi and MnGa,which is a promising skyrmion-racetrack-memory medium without skyrmion Hall effect after capping with a Pt layer.Unusual humps in transverse Hall resistance loops are clearly observed in the temperature range from 260 to 400 K.This anomaly is generally attributed to topological Hall effect,but other than that,we prove that non-uniform rotation of magnetic moments in the bilayer with magnetic field sweeping is also a possible mechanism contributed to the unusual hump.     

The surface structures growth’s features caused by Ge adsorption on the Au(111) surface

The initial stage of the adsorption of Ge on an Au(111) surface was investigated. The growth and stability of the structures formed at the surface were studied by ultrahigh-vacuum low-temperature scanning tunneling microscopy and analyzed using density functional theory. It was established that the adsorption of single Ge atoms at the Au(111) surface at room temperature leads to the substitution of Au atoms by Ge atoms in the first surface layer. An increasing of surface coverage up to 0.2–0.4 monolayers results in the growth of an amorphous binary layer composed of intermixed Au and Ge atoms. It was shown that the annealing of the binary layer at a temperature of T _s ? 500 K, as well as the adsorption of Ge on the Au(111) surface heated to T _s ? 500 K for coverages up to 1 monolayer lead to a structural transition and the formation of an Au–Ge alloy at least in the first two surface layers. Based on experimental and theoretical data, it was shown that the formation of single-layer germanene on the Au(111) surface for coverages ≤1 monolayer in the temperature range of T _s = 297–500 K is impossible.     

Role of manganese in ferromagnetic (Al,Mn)N films

We have studied the (Al,Mn)N films grown by plasma-enhanced molecular beam epitaxy via Raman spectroscopy to verify how Mn atoms were incorporated into AlN lattice. In Raman spectra of (Al,Mn)N, the frequency of E₂ (high) mode blueshifts. Together with XRD results, the strain calculations support the existence of the substitutional dopant. Also, an additional peak, attributed to local vibrational mode of Mn, coincides with the calculated phonon frequency on the basis of a simple model. The Raman results reveal that Mn atoms replace Al atoms at the substitutional sites in the lattice. The (Al,Mn)N films were found to exhibit insulating characteristics and ferromagnetic ordering above room temperature. These results suggest that the ferromagnetism in the (Al,Mn)N films is due to the intrinsic nature originating from the substitutional Mn within (Al,Mn)N.     

Mn掺杂SiC磁性薄膜的结构表征

利用反射式高能电子衍射(RHEED)、X射线衍射(XRD)和X射线吸收近边结构谱(XANES)等技术研究了在950 ℃条件下Si(111)衬底上共蒸发分子束外延方法制备的Mn掺杂SiC磁性薄膜的结构特征.RHEED结果表明,生长的Mn掺杂SiC薄膜为立方结构.XRD和XANES结果表明,在Mn掺杂量为0.5％和18%的样品中,Mn原子均是与SiC半导体介质中的Si原子反应生成镶嵌在SiC基体中的Mn₄Si₇化合物颗粒,并未观察到在SiC晶格中有替代式或间隙式的M     

MBE growth of a novel chalcopyrite-type ternary compound MnGeP2

Novel ternary Mn-containing compound MnGeP₂ has been grown on GaAs and InP substrates using molecular beam epitaxy, in which Mn and Ge were supplied from solid sources and P from a gas source. The films obtained showed XRD pattern characteristic of MnGeP₂. Lattice constants were determined using reciprocal lattice mapping analysis. Films directly grown on GaAs substrate showed three-dimensional grain-growth. By introduction of a Ge buffer layer growth mode became two-dimensional. The magnetization vs. temperature curve showed ferromagnetic properties at room temperature, in conflict with theory which predicts its antiferromagnetism. Presence of secondary phase is discussed.     

Distribution of doped Mn at the Σ3 (1 1 2) grain boundary in Ge

Using first-principles density functional theory method, we have investigated the distribution and magnetism of doped Mn atoms in the vicinity of the Σ3 (1 1 2) grain boundary in Ge. We find that at low concentration, the substitutional sites are energetically favorable over the interstitial ones for Mn. The binding energy of Mn varies with lattice sites in the boundary region, and hence a non-uniform distribution of Mn nears the boundary. However, the average of their segregation energy is quite small, thus no remarkable grain boundary segregation of Mn is predicted. Due to volume expansion at the grain boundary, the spin polarization of Mn is slightly enhanced. Overall, we find that the magnetism of Mn-doped Ge is not sensitively dependent on the grain structure.     

Synthesis of Mn doped ZnO nanoparticles with biocompatible capping

Free standing nanoparticles of ZnO doped with transition metal ion Mn have been prepared by solid state reaction method at 500 °C. X-ray diffraction (XRD) analysis confirmed high quality monophasic wurtzite hexagonal structure with particle size of 50 nm and no signature of dopant as separate phase. Incorporation of Mn has been confirmed with EDS. Bio-inorganic interface was created by capping the nanoparticles with heteromultifunctional organic stabilizer mercaptosuccinic acid (MSA). The surface morphological studies by scanning electron microscopy (SEM) showed formation of spherical particles and the nanoballs grow in size uniformly with MSA capping. MSA capping has been confirmed with thermo gravimetric analysis (TGA) and FTIR. Photoluminescence (PL) studies show that the ZnO:Mn²⁺ particles are excitable by blue light and emits in orange and red. Occurrence of room temperature ferromagnetism in Mn doped ZnO makes such biocompatible luminescent magnetic nanoparticles very promising material.     

Hybrid heterostructure with a nanolayer of diluted GaIn(Mn)AsSb compound in a type II broken-gap heterojunction

Nanotechnology of obtainment of diluted magnetic semiconductors based on the GaInAsSb compounds is developed using the pulsed laser ablation deposition of Mn atoms on the surface of the epitaxial layer of a quaternary alloy obtained by liquid phase epitaxy. Fabricated heterostructures were studied using high-resolution X-ray diffraction for the Bragg and grazing diffraction geometries, and the depth profiling analysis was performed by secondary ion mass spectrometry. It was established that the nanoscale region of the Ga_0.96In_0.04As_0.11Sb_0.89 epilayer near the deposition surface of atomic Mn exhibits the presence of a quinary compound with Mn atoms in the lattice of the solid solution layer.     

金属间化合物DyMn_2Ge_2的自发磁相变和场诱导的磁相变

在 10— 80 0K的温度范围内用X射线衍射方法测量了DyMn2 Ge2 化合物的晶格常数与温度的变化关系 ,观察到高温时DyMn2 Ge2 由顺磁状态到反铁磁状态的自发磁相变伴随着晶格常数a的负的磁弹性异常现象 .在4 2K— 2 0 0K的温度范围内测量了DyMn2 Ge2 的交流磁化率 .在交换相互作用的分子场模型近似下 ,从理论上分析讨论了DyMn2 Ge2 的低温自发磁相变和场诱导的磁相变 .计算了DyMn2 Ge2 单晶的磁化强度与温度的变化关系以及不同温度下外磁场沿晶轴c方向时的磁化曲线 .理论分析和计算结果表明 ,温度低于 33K时在DyMn2 Ge2 中观察到的场诱导的一级磁相变为由亚铁磁状态 (Fi)到中间态 (IS)相变 .     

Zum Magnetismus von aufgedampften Silber-Mangan-Legierungen

Ag-Mn alloys are produced by simultaneous condensation of both components on a substrate at 30 °K. By this method one gets a statistic distribution of the Mn atoms in Ag. The susceptibility of unannealed films obeys Curie's law for all Mn concentrations up to 16 at. per cent. Above that concentration the Curie-Weiss law holds with a negative paramagnetic Curie temperature. The magnetic moment decreases with increasing Mn concentration. For small concentrations the magnetic moment of a Mn atom corresponds to a spin of 4/2. The temperature of spin ordering is proportional to the Mn concentration. Annealing the films to 300 °K changes the distribution of the Mn atoms and the magnetic properties. The magnetic measurements on annealed films qualitatively agree with known measurements on molten Ag-Mn alloys. The magnetic properties are discussed by using theoretical arguments given byFriedel, Ziman, andOverhauser.     

Ferromagnetism in epitaxial germanium and silicon layers supersaturated with managanese and iron impurities

The possibility of laser synthesis of diluted magnetic semiconductors based on germanium and silicon doped with manganese or iron up to 10–15 at % has been shown. According to data on the electronic levels of 3d atoms in semiconductors, Mn and Fe impurities are most preferable for realizing ferromagnetism in Ge and Si through the Ruderman-Kittel-Kasuya-Yosida mechanism. Epitaxial Ge and Si layers 50–110 nm in thickness were grown on gallium arsenide or sapphire single crystal substrates heated to 200–480°C. The content of a 3d impurity has been measured by x-ray spectroscopy. The ferromagnetism of layers and high magnetic and acceptor activities of Mn in Ge, as well as of Mn and Fe in Si, are manifested in the observation of the Kerr effect, anomalous Hall effect, high hole conductivity, and anisotropic ferromagnetic resonance at 77–500 K. According to the ferromagnetic resonance data, the Curie point of Ge:Mn and Si:Mn on a GaAs substrate and of Si:Fe on an Al₂O₃ substrate is no lower than 420, 500, and 77 K, respectively.     

Mn掺杂ZnS(110)表面的电子结构和磁性

采用基于密度泛函理论的第-性原理方法,研究Mn掺杂ZnS(110)表面的电子结构和磁性.计算分析不同掺杂组态的几何参数、形成能、磁矩、电子态密度以及电荷密度.结果表明:单个Mn原子掺杂,替位于表面第二层的Zn原子时体系形成能最低,说明该层是最稳定的掺杂位置.对于两个Mn原子的掺杂,当Mn与Mn之间呈反铁磁耦合时体系最稳定.体系的总磁矩和自由Mn原子的磁矩差别很小,但是Mn原子的局域磁矩却依赖于Mn原子的3d态和近邻S原子的3p态的杂化作用,即受周围S原子环境的变化影响较大.此外,分析电荷密度图得出Mn原子替换Zn原子后与S原子形成了更强的共价键.