C掺杂Mn3Ge的电子结构和磁性

采用第一性原理计算方法研究C掺杂对Mn₃Ge的影响.对Mn_3-xGeC_x的晶体结构进行几何优化,发现C原子最稳定的掺杂位置在正八面体的中心位置.研究其电子结构和总磁矩随C掺杂量的变化,发现总磁矩随着C浓度的增加先减小后增大,其中Mn₃GeC_0.4总磁矩接近零,可以实现完全的磁性补偿.研究Mn₃GeC_0.4多层膜的磁性,给出总磁矩接近零的Mn₃GeC_0.4多层膜结构,为Mn₃Ge的实际应用提供参考.     

Magnetization reversal of ultrathin Fe film grown on Si（111） using iron silicide template

Ultrathin Fe films were epitaxially grown on Si（lll） by using an ultrathin iron silicide film with p（2 × 2） surface reconstruction as a template. The surface structure and magnetic properties were investigated in situ by low energy electron diffraction （LEED）, scanning tunnelling microscopy （STM）, and surface magneto-optical effect （SMOKE）. Polar SMOKE hysteresis loops demonstrate that the Fe ultrathin films with thickness t 〈 6 ML （monolayers） exhibit perpen-dicular magnetic anisotropy. The characters of M-H loops with the external magnetic field at difference angles and the angular dependence of coercivity suggest that the domain-wall pinning plays a dominant role in the magnetization reversal process.[第一段]     

Effect of Annealing on Structural and Magnetic Properties of a Thick （Ga,Mn）As Layer

We investigate effects of annealing on magnetic properties of a thick (Ga,Mn)As layer, and find a dramatic increase of the Curie temperature from 65 to 115K by postgrowth annealing for a 500-nm (Ga,Mn)As layer.Auger electron spectroscopy measurements suggest that the increase of the Curie temperature is mainly due to diffusion of Mn interstitial to the free surface. The double-crystal x-ray diffraction patterns show that the lattice constant of (Ga,Mn)As decreases with increasing annealing temperature. As a result, the annealing induced reduction of the lattice constant is mainly attributed to removal of Mn interstitial.     

Annealing effect on magnetic anisotropy in ultrathin（Ga,Mn）As

We investigated the effect of low temperature annealing on magnetic anisotropy in 7-nm ultrathin Ga0.94Mn0.06As devices by measuring the angle-dependent planar Hall resistance(PHR).Obvious hysteresis loops were observed during the magnetization reversal through the clockwise and counterclockwise rotations under low magnetic fields(below 1000 Gs,1 Gs = 10-4 T),which can be explained by competition between Zeeman energy and magnetic anisotropic energy.It is found that the uniaxial anisotropy is dominant in the whole measured ferromagnetic range for both the as-grown ultrathin Ga0.94Mn0.06As and the annealed one.The cubic anisotropy changes more than the uniaxial anisotropy in the measured temperature ranges after annealing.This gives a useful way to tune the magnetic anisotropy of ultrathin(Ga,Mn)As devices.     

半导体低维体系简介（续）

3　低维体系的生长制备和分析3 .1　生长制备传统的电子材料和器件加工中使用以下几种工艺来形成细小尺寸的图形 .1 )光刻和电子束刻蚀 :最小刻蚀尺度受衍射限制 ,对可见光 ,最小刻蚀尺度～ 0 .1 5μm,使用软 X射线可降至 0 .0 1μm,高能电子束刻蚀可达 0 .0 2 μm,若使用无机抗蚀剂还可降到1 nm,可用来形成量子线和量子点 .2 )腐蚀 :包括化学腐蚀和等离子体腐蚀 .化学腐蚀必然留下一些残留物 ;等离子体工艺过程中的 H原子可能进入材料 ,在 50 nm或更深的深度内改变掺杂浓度的深度分布 .3 )离子注入 :虽然使用适当厚度的掩膜可获得注入区和…     

Ultrathin Pb film growth on Cu（111） studied by photoemission

The valence bands and the Pb 5d,Cu 3p core levels of Pb films evaporated on Cu(111) were measured by synchrotron radiation photoemission and characterized by low-energy electron diffraction(LEED) and Auger electron spectroscopy(AES).The variation of the surafce state at the center of the surface Brillouin zone (SBZ) of Cu(111) with Pb coverage shows that the submonolayer Pb grows on Cu(111) at room temperature(RT) as two-dimensional(2D) islands.With the Pb coverage increasing,the Pb 5d5/2 core level shifts to higher binding energy monotonically.While the Cu 3p3/2 core level is shifted toward higher binding energy by about 120 meV due to the deposition of 1.0ML Pb.At low Ph coverage,subsequent annealing at 200℃ gives rise to Pb-Cu surface alloy formation in the first layer of Cu(111).The Pb 5d core level is shifted toward Fermi level by 20-30 meV due to the surface alloying.An assumption about electron charge transfer from Cu to Pb was adopted to interpret the observed cored level shifts.2001 Published by Elsevier Science Ltd.     

Growth of Atomically Flat Ultra-Thin Ag Films on Si（111） by Introducing a √3×√3-Ga Buffer Layer

Growth of high-quality ultra-thin Ag film is of great interest from both scientific and technological viewpoints. First, ultra-thin metal fihns are model systems utilized to investigate quantum size effects （QSE）. When the film thickness is comparable to the Fermi wavelength of an electron, quantized energy lev- els known as quantum well states are produced in the surface normal direction. High-quality metal films with uniform thickness can effectively suppress in- homogeneous broadening of the thickness-dependent quantum levels to manifest quantum size effects. Secondly, Ag is the most widely used material for sur- face plasmonic devices, and high-quality Ag films have already shown the capability of supporting surface plasmon propagation fbr an extremely long distance. Moreover, ultra-thin Ag films can act as an excel- lent substrate for integrating various nano and low- dimensional structures. For instance, silicene, which is a two-dimensional （2D） sheet composed of silicon similar to graphene, has recently attracted intense attention. Ag （111） surface is widely recognized as the most important substrate suitable for the growth of silicene, while Ag films are much more cost-effective candidates for expensive single crystal Ag（111） sub- strates.     

Large-Area Self-Assembly of Rubrene on Au（111） Surface

Large-area self-assembly of rubrene has been fabricated on Au（111） surface and studied by scanning tunnelling microscopy. The rubrene monolayer on A u（111） surface is characterized by well-ordered row-like structures similar to the a-b plane of rubrene single crystal. However, the directions of the neighboured molecular rows are opposite to each other. In a two-layer film of rubrene on Au（111） surface, the arrangements of the top molecular rows are determined by the underneath rows, suggesting an orthorhombic crystal structure with a = 1.26 nm, b = 4.36 nm, c = 0.17nm for multilayer ofrubrene on Au（111）.     

The effect of composition on structural and electronic properties in polycrystalline CuGaSe2 thin film

Polycrystalline CuGaSe2 thin films on Mo-coated soda-lime glass substrates have been synthesized by coevaporation process from Cu, Ga and Se sources. Structural and electrical properties of the as-grown CuGaSe2 films strongly depend on the film composition. Stoichiometric CuGaSe2 is fabricated, as indicated by x-ray diffraction spectroscope （XRD） and x-ray fluorescence （XRF）. A two-phase region is composed of CuGaSe2 and Cu2-xSe phases for Cu-rich films, and CuGaSe2 and CuGa3Se5 phases for Ga-rich films, respectively. Morphological properties are detected by scanning electron microscope （SEM） for various compositional films, the grain sizes of the CuGaSe2films decrease with the extent of deviation from stoichiometric composition. Raman spectroscopy of Cu-rich samples shows that there exist large Cu-Se particles on the film surface. The results from Hall effect measurements for typical samples indicate that CuGaSe2 films are always of p-type semiconductor from Cu-rich to Ga-rich. Stoichiometric CuGaSe2 films exhibit relatively large mobility than any other compositional films. Finally, polycrystalline CuGaSe2 thin film solar cell with a best conversion efficiency of 6.02% has been achieved under the standard air mass （AM）1.5 spectrum for 100mW/cm^2 at room temperature （aperture area, 0.24cm^2）. The open circuit voltage of the CuGaSe2 solar cells is close to770 mV.     

Effect of Co substitution on magnetic properties and magnetic entropy changes in LaFe11.83Si0.94Al0.23 compounds

Effect of Co substitution on magnetic properties and magnetic entropy changes in LaFe_{11.83}Si_{0.94}Al_{0.23} compounds has been investigated by means of magnetization measurements. X-ray diffraction shows the prepared compounds to be single phase with the cubic NaZn_{13}-type structure. Substitution of Co for Fe leads to an increase of Curie temperature of the material. The magnetic entropy changes in LaFe_{11.83}Si_{0.94}Al_{0.23} and LaFe_{11.03}Co_{0.80}Si_{0.94}Al_{0.23} compounds are 21.8J/(kg·K) to 16.9J/(kg·K) under a magnetic field change of 0－5T at Curie temperature, respectively. Giant magnetic entropy changes are attributed to the higher magnetization and the rapid change in magnetization at Curie temperature.     

Magnetic characterization of Mn5SiB2 and Mn5Si3 phases

In this work the Mn₅Si₃ and Mn₅SiB₂ phases were produced via arc melting and heat treatment at 1000 °C for 50 h under argon. A detailed microstructure characterization indicated the formation of single-phase Mn₅Si₃ and near single-phase Mn₅SiB₂ microstructures. The magnetic behavior of the Mn₅Si₃ phase was investigated and the results are in agreement with previous data from the literature, which indicates the existence of two anti-ferromagnetic structures for temperatures below 98 K. The Mn₅SiB₂ phase shows a ferromagnetic behavior presenting a saturation magnetization M_s of about 5.35×10⁵ A/m (0.67 T) at room temperature and an estimated Curie temperature between 470 and 490 K. In addition, AC susceptibility data indicates no evidence of any other magnetic ordering in 4-300 K temperature range. The magnetization values are smaller than that calculated using the magnetic moment from previous literature NMR results. This result suggests a probable ferrimagnetic arrangement of the Mn moments.     

Magnetocaloric effect and transition order of Mn5Ge3 ribbons

Single phase Mn₅Ge₃ ribbons were successfully synthesized by single roller melt-spinning method followed by an annealing procedure at 800 °C for 1 h. The magnetocaloric effect and transition order were investigated by dc magnetization measurement. A maximum entropy change of 4.92 J/kg K and a refrigerant capacity of 201.3 J/kg were observed at an external field change of 30 kOe. The Banerjee criterion was adopted to discriminate the order of the transition, indicating a second order transition. The calculated entropy changes were also obtained by Landau theory, which are in agreement with the experimental values at the temperature region above the Curie temperature. This phenomena implies a potential transition of the magnetic interaction in the vicinity of the Curie temperature. Universal behavior was also indicated in that all of the experimental entropy change curves collapse into one universal curve, which is consistent with the Banerjee criterion.     

First-principles study of structural,electronic, and magnetic properties of Mn4XGe3 （X = Fe,Co,Ni）

In order to search for promising candidates for spintronic applications, this paper systematically studies three ternary compounds based on Mn5Ce3 by using a full-potential linearized augmented plane wave method within the density functional theory. Through structure optimization and electronic structure calculations, it finds that Mn4FeCe3 and MnaCoCe3 have much higher spin-polarization than original intermetallic compound Mn5Ce3, although the spin polarization of MnaNiCe3 is lower than that of Mn5Ce3. The calculated result is in agreement with experiment in the case of Mn4FeCe3. Both of them can be taken as promising candidates for spintronics applications because of their high spin-polarization and compatibility with semiconductors.     

Magnetic structure of the Mn5Si3-type Er5Ge3 compound

The Er₅Ge₃ compound (Mn₅Si₃-type, hP16, P6₃/mcm) at 4 K shows magnetic ordering of the antiferromagnetic type. Its magnetic structure consists of sine modulated collinear magnetic moments of Er that are parallel to the c axis (with a propagation vector k=[0 0 ±0.3]). This corresponds to the magnetic unit cell (a a 10c), the values of the magnetic moment of the Er atoms being, as a general formula, M_z≈M₀ cos [2π(Z–1/4)(1–kZ)], with M₀=9.2(2) μ_B at 4 K.     

Magnetic properties and magnetocaloric effects of Mn5G3-xGax

We report on the magnetic properties and magnetocaloric effects of Mn_5Ge_{3-x}Ga_x compounds with x=0.1, 0.2, 0.3, 0.4, 0.6 and 0.9. All samples crystallize in the hexagonal Mn_5Si_3-type structure with space group P6_3/mcm and order ferromagnetically. The Curie temperature of these compounds decreases with increasing x, from 306K (x=0.1) to 274K (x=0.9). The average Mn magnetic moments increases with increasing Ga content, reaching a maximum value at x=0.6. The magnetic entropy changes in these compounds are determined from the temperature and field dependence of the magnetization using the thermodynamic Maxwell relation. The Ga substitution has two kinds of influence on the magnetocaloric effect (MCE) of Mn_5Ge_3. One is that the magnitude of the magnetic entropy change decreases, the other is that the MCE peak becomes broadened.     

Deposition mechanism of nano-structured single-layered C36 film on a diamond （100） crystal plane

The Brenner-LJ potential is adopted to describe the interaction between C36 clusters and diamond surface, and the deposition mechanism of multi-C36 clusters on the diamond surface is also studied by using the method of molecular dynamics simulation. The simulation results show that the competition effects of two interactions, i.e. the interaction between cluster and cluster and the interaction between cluster and crystal plane, are studied, and then the influence of these competition effects on C36 cluster deposition is analysed. The finding is that when an incident energy is appropriately chosen, C36 clusters can be chemically adsorbed and deposited steadily on the diamond surface in the form of single-layer, and in the deposition process the multi-C36 clusters present a phenomenon of energy transmission. The experimental result shows that at a temperature of 300K, in order to deposit C36 clusters into a steady nanostructured single-layered film, the optimal incident energy is between 10 and 18 eV, if the incident energy is larger than 18 eV, the C36 clusters will be deposited into an island nano-structured film.     

Photoelectron diffraction study of ultrathin film growth of Ni on Pt(111)

X-ray photoelectron diffraction (PD) based on a forward scattering approach (FS-PD) has been used to study the growth mode of the first few Ni monolayers deposited on the Pt(111) surface, with a particular attention to the initial stages of epitaxy, i.e. the formation of the first atomic layer. Strong evidences for a layer-by-layer (or Frank-Van der Merwe) growth mode are reported, substantiated also by theoretical simulations carried out with the single scattering cluster-spherical wave (SSC-SW) framework. The first Ni monolayer grows strained in-plane to match the substrate pseudomorphically even if there is a 10% mismatch between the lattice parameters of Ni and Pt. The multilayer (up at least to six monolayers) maintains the horizontal strain and consequently shows a vertical spacing contraction (tetragonal distorsion). It retains the overall threefold symmetry and azimuthal orientation of the substrate, indicative of a single-domain epitaxial fcc stacking. There is also some evidence (even if it is not conclusive) for the fact that the Ni atoms of the first monolayer occupy hcp sites of the substrate surface.