Enhancement of the thermoelectric power factor of MnSi1.7 film by modulation doping of Al and Cu

It is well known that aluminum (Al) and copper (Cu) are acceptor impurities with shallow- and deep-energy levels in silicon (Si), respectively. The thermoelectric power factor of Al and Cu codoped Si film is larger than that of only Al-doped Si film. In this report, the Al and Cu codoped Si layer, Si: (Al + Cu), is used as a barrier layer, while a higher manganese silicide (HMS, MnSi_1.7) layer is used as a well layer to enhance the power factor of MnSi_1.7 film. It is found that the Al and Cu modulation doped MnSi_1.7 film, Si: (Al + Cu)/MnSi_1.7, has a power factor almost two times larger than that of only Al modulation doped MnSi_1.7 film, Si: Al/MnSi_1.7. It is also found that an undoped Si spacer layer between the Si: (Al + Cu) barrier layer and the MnSi_1.7 well layer can enhance the power factor further. Finally, it is demonstrated that the MnSi_1.7 film with double Si barrier layers, Si: (Al + Cu)/MnSi_1.7/Si: (Al + Cu), has the highest power factor, 1423×10^?6 W/m?K² at 783 K, which is very close to that of MnSi_1.7 bulk material.     

Lifetimes and decays of energy levels in Si and P

The mean lifetimes of 15 levels in ³⁰Si and of 7 levels in ³⁰P have been measured by the Doppler-shift attenuation method. Limits on the lifetimes of a further 8 levels in ³⁰Si and of the 3018 keV level in ³⁰P have been obtained. Branching ratios and excitation energies have been measured in both nuclei. The levels were populated by the reactions ²⁷Al(α, p)³⁰Si and ²⁷Al(α, n)³⁰P at α-particle bombarding energies of 5.0, 6.3 and 8.0 MeV. Theγ-rays were detected with a Ge(Li)-NaI(Tl) escape suppressed and pair escape spectrometer.     

Ultrathin amorphous Ti–Al film used as a diffusion barrier for copper metallization

The viability of ultrathin amorphous Ti–Al film (～4 nm) as a diffusion barrier layer between Cu and Si for the application in Si-based ultra-large scale integration (ULSI) has been investigated. The Cu/Ti–Al/Si heterostructures are annealed in a high vacuum at various temperatures. There is no impurity peaks in the X-ray diffraction patterns for the samples up to annealing temperature of 800 ^°C, although the island-like grains were observed on the surface of the 800 ^°C annealed sample due to dewetting and agglomeration of the Cu film. No inter-reactions can be found from the images of transmission electron microscopy and Ti–Al is still amorphous after high-temperature annealing. These results indicate that Ti–Al film can effectively separate Cu from Si at high temperatures, and that the amorphous ultrathin Ti–Al film can be a very good barrier layer for Cu metallization.     

Electrical conductivity response and sensitivity of ZSM-5, Y,and mordenite zeolites towards ethanol vapor

This work is an attempt to search for highly selective sensing materials for ethanol vapor. The electrical conductivity response of ZSM-5, Y, and mordenite zeolites towards ethanol vapor have been investigated for the effects of the framework, the charge balancing cation type, and the Si/Al ratio. All zeolites were characterized using XRD, FT-IR, SEM, TGA, BET, and NH₃-TPD techniques. For the effect of the zeolite framework type, H⁺Y has a higher electrical conductivity sensitivity value than that of H⁺MOR because of a greater pore volume and available surface area. For the effect of the charge balancing cation, all NH₄ ⁺ZSM-5 zeolites (Si/Al = 23, 50, 80, 280) show negative responses, whereas the H⁺Y zeolites (Si/Al = 30, 60, 80) and the H⁺MOR zeolites (Si/Al = 30, 200) show positive responses. These differing behaviors can be traced to the electrostatic field at the cation sites in zeolite micropores, and their hydrophilic–hydrophobic character, which affect the adsorption properties of the zeolites. For the effect of Si/Al ratio, the electrical conductivity sensitivity towards the ethanol decreases with increasing Si/Al ratio or decreasing Al content, and there is a lesser degree of interaction between ethanol molecules and the active sites of the zeolites due to its higher hydrophobicity and the lower amount of cations. However, the H⁺Y (Si/Al = 5.1) and the H⁺MOR (Si/Al = 19) zeolites have lower conductivity sensitivity than those of H⁺Y (Si/Al = 30) and H⁺MOR (Si/Al = 30), respectively. The interactions between the C₂H₅OH molecules and the zeolites with respect to the electrical conductivity sensitivity were investigated and verified through infrared spectroscopy.     

Molecular depth profiling of multi-layer systems with cluster ion sources

Cluster bombardment of molecular films has created new opportunities for SIMS research. To more quantitatively examine the interaction of cluster beams with organic materials, we have developed a reproducible platform consisting of a well-defined sugar film (trehalose) doped with peptides. Molecular depth profiles have been acquired with these systems using C₆₀⁺ bombardment. In this study, we utilize this platform to determine the feasibility of examining buried interfaces for multi-layer systems. Using C₆₀⁺ at 20 keV, several systems have been tested including Al/trehalose/Si, Al/trehalose/Al/Si, Ag/trehalose/Si and ice/trehalose/Si. The results show that there can be interactions between the layers during the bombardment process that prevent a simple interpretation of the depth profile. We find so far that the best results are obtained when the mass of the overlayer atoms is less than or nearly equal to the mass of the atoms in buried molecules. In general, these observations suggest that C₆₀⁺ bombardment can be successfully applied to interface characterization of multi-layer systems if the systems are carefully chosen.     

Synthesis,characterization and catalytic performance of Al-MCM-41 mesoporous materials

A series of MCM-41 molecular sieves has been synthesized by using different Si/Al molar ratios and appropriate conditions for the synthesis. Silica fumed and sodium aluminate, both of inorganic origin, have been used in the synthesis, avoiding the use of organic sources. Isomorphous substitution of silicon in tetrahedral framework positions of structure by Al in the Al-MCM-41 material was observed by ²⁷Al NMR and ²⁹Si NMR spectra. The nitrogen adsorption isotherms of the samples showed higher specific surface area and more mesopore volume when there was an increase in the aluminium content. Simultaneously, a smaller thickness of the wall and diameter pore by XRD was observed. At higher degrees of incorporation of aluminium, the acidity of the samples increased, as is clearly shown by the results of temperature-programmed desorption of ammonia and pyridine adsorption by IR. As more aluminium was incorporated into the samples, the higher were the catalytic performances. The increase of the conversion, in hydroisomerization of n-heptane, shows that these materials acted as acid catalysts. This increase in the total conversion is related to the higher number of acid sites in the samples.     

Electronic structures of Al–Si clusters and the magic number structure Al8Si4

The low-energy structures of Al₈Si_m (m = 1–6) have been determined by using the genetic algorithm combined with density functional theory and the Second-order Moller-Plesset perturbation theory (MP2) models. The results show that the close-packed structures are preferable in energy for Al–Si clusters and in most cases there exist a few isomers with close energies. The valence molecular orbitals, the orbital level structures and the electron localisation function (ELF) consistently demonstrate that the electronic structures of Al–Si clusters can be described by the jellium model. Al₈Si₄ corresponds to a magic number structure with pronounced stability and large energy gap; the 40 valence electrons form closed 1S²1P⁶1D¹⁰2S²1F¹⁴2P⁶ shells. The ELF attractors also suggest weak covalent Si–Si, Si–Al and Al–Al bonding, and doping Si in aluminium clusters promotes the covalent interaction between Al atoms.     

27Al NMR spectroscopy of minerals and related materials

We present a review of the applications of²⁷Al NMR methods to investigations of the structures of minerals, primarily alumino-silicates, and related synthetic compounds. Such materials are ubiquitous in the earth and other terrestrial planets. Because of their diverse structures and compositions, they also provide examples of many situations in which²⁷Al NMR spectroscopy can provide useful information. Thus, they serve well as model compounds for synthetic crystalline and amorphous materials and usefully illustrate the applications of many techniques. The advent of high-field superconducting magnets (H ₀>9 T) has made application of²⁷Al NMR to solids much more effective than it was previously, and we focus primarily on these recent applications but also discuss older, single-crystal data.²⁷Al NMR methods can be used for many purposes in investigations of solids. Here we emphasize the following. 1) Determination of the Al coordination number and the polymerization of tetrahedrally coordinated Al. 2) Determination of tetrahedral Al/octahedral Al ratios. 3) Investigation of tetrahedral Al, Si order/disorder in, especially, framework-structure alumino-silicate phases. 4) Investigation of the static structural changes and dynamical behavior of crystals undergoing structural phase transitions. 5) Investigation of the local symmetry of Al-sites through the quadrupole coupling constant and asymmetry parameter.     

Baryon distributions in ultrarelativistic nucleus-nucleus collisions

We have measured distributions in transverse momentum and rapidity of protons from interactions of 14.6 GeV/nucleon²⁸Si projectiles with targets of Al and Pb. The transverse momentum spectra exhibit a thermal shape with a rapidity dependent temperature parameter. For very central or violent collisions the proton rapidity distributions exhibit the large rapidity shifts and (for Si+Al) a peak at midrapidity as required for full stopping.     

Laser ablation of aluminosilicates: Comparison between allophane and mixed alumina/silicas by Fourier Transform-Ion Cyclotron Resonance-Mass Spectrometry

Laser ablation coupled to Fourier Transform-Ion Cyclotron Resonance-Mass Spectrometry [FT-ICR-MS] was used for analysing allophane aluminosilicates and mixtures of Al₂O₃/SiO₂. We show that both positive and negative ionization modes in FT-ICR-MS allows direct analysis of the various Al/Si ratios in allophanes and mixed alumina/silica samples. FT-ICR-MS technique provides a routine analytical methodology providing insight into the Al/Si molar composition and the origin of any aluminosilicate materials.     

Structural characterization of pure Na-nephelines synthesized by zeolite conversion route

Using the zeolite thermally induced transformation route and starting from Na-LTA, Na-FAU and Na-GIS zeolites as precursors, we synthesized pure sodium nephelines (ps-Ne) with Si/Al ratios between 1.0 and 1.5 (ps-Ne_LTA, ps-Ne_FAU, ps-Ne_GIS). By X-ray diffraction analysis of intermediaries, we found that ps-Ne_LTA and ps-Ne_FAU were obtained as polymorphous transformation products from carnegieite phases and ps-Ne_GIS was synthesized directly from amorphous zeolite precursor. Stoichiometric ps-Ne_LTA {Na₈[Al₈Si₈]₁₆O₃₂} and non-stoichiometric ps-Ne_FAU {(Na_7.20□_0.80)₈[Al_7.20Si_8.80]₁₆O₃₂} and ps-Ne_GIS {(Na_6.41□_1.59)₈[Al_6.41Si_9.59]₁₆O₃₂} were obtained at temperatures 900-1200 °C. The crystal structures of these ps-Ne-s were refined in the P6₃ space group, from X-ray powder data using the Rietveld method. Mean T-O bond lengths decreases almost linearly with increasing the Si/Al ratio. These changes are induced by short-range order-disorder of Si, Al cations through the T_G and T_S sites. The increase of short-range disorder over T-sites, is followed and confirmed by ²⁹Si MAS NMR and IR spectroscopy. Comparison of the Si/Al ordering of synthesized ps-Ne structures with the published data shows inverse segregation of framework cations (Si; T1=T4 and Al; T2=T3). That is probably a consequence of applied synthesis route.     

Investigation of 28Si levels with the (α, γ) and (p, γ) reactions

Particle energies have been measured for resonances in the ²⁷Al(p, γ)²⁸Si and ²⁴Mg(α, γ)²⁸Si reactions with an accuracy of 0.5 × 10^?4 and 1 × 10^?4, respectively. The E_p = 991.88 ± 0.04 keV²⁷Al(p, γ)²⁸Si resonance served as calibration point. From these data the Q-value of the reaction ²⁷Al(p, α)²⁴Mg has been determined as 1600.14 ± 0.21 keV. Excitation energies of ²⁸Si levels have been measured with the ²⁷Al(p, γ)²⁸Si reaction; the reaction energy is Q = 11584.5 ± 0.4 keV.Of 33 resonances observed in the ²⁴Mg(α, γ)²⁸Si reaction (E_α = 1.5–3.8 MeV), energies, strengths and γ-ray decay have been measured; five of these resonances had not been reported previously. The γ-ray angular distribution measurements at three resonances yield the resonance J^π values and the mixing ratios of the strongest transitions involved in the decay. The 10.38 MeV level has J^π = 3⁺, T = 1. The arguments on which T-assignments can be based are critically reviewed. These arguments are used to assign T = 1 character to ¹⁹ states of ²⁸Si.     

Determination of the absolute concentration of B,Al, Ga,and Si atoms in a nonequilibrium plasma by the reabsorption-distorted intensity ratios in resonance multiplets

The recently developed method of spectroscopic determination of the concentration of boron atoms in a nonequilibrium plasma is extended to B, Al, Ga, and Si atoms and generalized by taking into account the gas temperature and the non-Boltzmann distribution of the sublevel populations of the ground state multiplet structure of the atoms. The approach suggested is based on the measurement of the reabsorption-distorted intensity ratios of pairs of spectral lines having the same upper level and belonging to the resonance multiplet. It is shown that, at a sufficiently large optical thickness of the plasma along the line of observation, the measured values of the intensity ratios depend on the plasma gas temperature T and the product NL of the total concentration N of normal atoms and the length L of the plasma column along the line of observation. Hence, to determine the concentration N using the resonance doublets of B, Al, and Ga atoms, it is necessary to have data about the temperature T. The structure of the resonance multiplet of Si allows measurement of three independent intensity ratios. This circumstance not only makes possible the simultaneous and purely spectroscopic determination of N and T but also enables one to perform internal testing of the applicability of the suggested method under real experimental conditions. The intensity ratios are calculated for the resonance multiplets of B, Al, Ga, and Si in the regions T = 300–6500 K and NL = 10⁷–10¹⁵ cm^?3 m. The calculation results and the range of applicability of the method are discussed.     

吸附Al,Sn后Si(111)面的电子结构及其比较

通过对吸附原子和衬底Si原子由于相互作用而产生的轨道交叠占有几率(OOP)和集团态密度的分析发现吸附Al和吸附Sn的Si(111)面能带中电子的占据状态很不一样,Si(111)3^1/2×3^1/2-Sn中有一个半充满的表面带,从而使体系具有表面金属性。而Si(111)3^1/2×3^1/2-Al中电子填满吸附原子和表面Si原子成键的表面态,反键的表面态全空,因此吸Al后的Si(111)面可能出现半导体特性。计算结果与实验结果 关键词：     

Amount of valence charge of Al- and Zn-based quasicrystals and related approximant crystals evaluated by chemical shift observations and Bader analysis

The amounts of decreased charge at Al sites of Al-based (Al–Pd–Cr–Fe, Al–Si–Mn, and Al–Re–Si) and at Zn sites of Zn-based (Zn–Mg–Zr) quasicrystals and approximant crystals were estimated. The evaluation was done by comparisons between chemical shifts experimentally observed by soft-X-ray emission spectroscopy and the amount of valence charge obtained by Bader analysis for first principle calculations of reference materials (Al, α-Al₂O₃, Zn, and ZnO). Decreased charges at Al sites of Al-based quasicrystals and at Zn sites of Zn-based quasicrystals were evaluated to be 1.0–2.5 e^–/atom and 1.1–1.2 e^–/atom, respectively. A covalent bonding nature alloy of Al–Re–Si also showed a decrease in valence charge at Al sites.     

The “island of inversion" from a nuclear moments perspective and the g factor of 35Si

This paper reviews recent results from electromagnetic moment measurements on isotopes in the island of inversion around N=20. The obtained moments on neutron rich Na, Mg, Al and Si isotopes allow to draw conclusions on the amount of intruder components in their ground state wave function, demonstrating a gradual transition from the normal sd-shell region into the island of inversion, starting at N=18 for Na, N=19 for Mg and N=20 for Al isotopes. A measurement of the ground state g factor of ³⁵Si (N=21), using a polarized fragment beam at GANIL, is discussed in more detail. The magnetic moment μ(³⁵Si, I^π= 7/2^-) = (-)1.638(4) μ_N is consistent with a normal ground state structure, dominated by a νf_7/2 neutron.     

Comparison of one and two-neutron transfer near the coulomb barrier for the27Al(18O,16O)29Al,27Al(180,17O)28Al and27Al(13C,12C)28Al reactions

Total reaction cross sections for the transfer reactions²⁷Al(¹⁸O,¹⁶O)²⁹Al,²⁷Al(¹⁸O,¹⁷O)²⁸Al and²⁷Al(¹³C,¹²C)²⁸Al are reported for center-of-mass energies between 13 and 20 MeV for¹⁸O projectiles and between 11 and 17.5 MeV for¹³C projectiles. The reaction products,²⁹Al and²⁸Al, beta decay to²⁹Si and²⁸Si, respectively, and the subsequentγ decays of²⁹Si and²⁸Si were measured. Due to the relatively long beta decay half lives, data were taken in a beam-off mode, resulting in very clean spectra. Total cross sections were calculated and compared with a theoretical model for barrier penetration proposed by C.Y. Wong. Differences between¹⁸O induced one and two-neutron total transfer reaction cross sections are discussed.     

Constraints on the universe as a numerical simulation

The level scheme above the proton threshold in ²⁶Si is crucial for evaluating the ²⁵Al(p, γ)²⁶Si stellar reaction, which is important for understanding the astrophysical origin of the long-lived cosmic radioactivity ²⁶Al(T _1/2 = 7.17 × 10⁵ y) in the Galaxy. The excited states in ²⁶Si have been studied using an in-beam γ-ray spectroscopy technique with the ²⁴Mg(³He, nγ)²⁶Si reaction. γ-rays with energies up to 4.6 MeV emitted from excited states in ²⁶Si have been measured using large volume HPGe detectors. The spin-parity of one of the most important states reported recently at 5890.0keV has been assigned as 0⁺ by γ-γ angular correlation measurements in this work.     

硅衬底GaN基LED N极性n型欧姆接触研究

在Si衬底GaN基垂直结构LED的N极性n型面上,利用电子束蒸发的方法制作了Ti/Al电极,通过了I-V曲线研究了有无AlN缓冲层对这种芯片欧姆接触的影响.结果显示,去除AlN缓冲层后的N极性n型面与Ti/Al电极在500到600 ℃范围内退火才能形成欧姆接触.而保留AlN缓冲层的N极性n型面与Ti/Al电极未退火时就表现为较好的欧姆接触,比接触电阻率为2×10^-5 Ω·cm²,即使退火温度升高至600 ℃,也始终保持着欧姆接触特性.因此,AlN缓冲层的存在是Si衬底GaN基垂直结构LED获得高热稳定性n型欧姆接触的关键. 关键词： 硅衬底 N极性 AlN缓冲层 欧姆接触     

Direct Detection of Al–O–Al Structure in Aluminosilicate Specimens: A Use of Homo-Nuclear DQMAS NMR

A general strategy of Al–O–Al structure in various aluminosilicate was evaluated by combining triple-quantum magic angle spinning (3QMAS) and double-quantum homo-nuclear correlation under magic angle spinning (DQMAS) solid-state nuclear magnetic resonance (NMR) measurements with the aid of high magnetic field NMR (800 MHz for ¹H Larmor frequency). The results show that in many cases the direct detection of Al–O–Al sites in aluminosilicate crystals and glasses is possible; hence the extent of aluminum avoidance can be directly elucidated. Specifically, experimental evidence of Al–O–Al linkages in several aluminosilicate materials with Si/Al >1 was straightforwardly confirmed; and the existence of Al–O–Al is considered to have little correlation with the Si/Al ratio, but it may be strongly related to the cation and local structural arrangement. In addition, the presence of tri-clusters of (Si, Al)O₄-tetrahedra in aluminosilicate framework was proposed, which was thought to act as nuclei for formation and incorporation of cations to achieve charge neutrality.