Specific features of the electronic structure and spectral properties of NdNi5 − x Cu x compounds

The spectral properties of the intermetallic compounds NdNi_{5 ? x} Cu _x (x = 0, 1, 2) have been studied using optical ellipsometry in the wavelength range 0.22–16 μm. It has been established that substitution of copper atoms for nickel leads to noticeable changes in the optical absorption spectra, plasma frequencies, and relaxation frequencies of conduction electrons. Spin-polarized calculations of the electronic structure of these compounds have been performed in the local spin density approximation allowing for strong electron correlations (LSDA + U method) in the 4f shell of the rare-earth ion. The calculated electron densities of states have been used to interpret the experimental dispersion curves of optical conductivity in the interband light absorption region.     

Compositional and structural characterization of strained Si/Si x Ge1−x multilayers and interfaces by high-resolution transmission electron microscopy

A method is described for the quantitative characterization of strained Si/Si _x Ge_1–x multilayers and interfaces by high-resolution transmission electron microscopy (HRTEM) in [110] and [100] crystal projections. The method relies on systematic variations of the image contrast with variations of the local composition x for certain ranges of objective lens defocus f and specimen thickness t and takes tetragonal lattice distortions fully into account. From an extensive study of the image formation process for Si _x Ge_1–x alloys and coherent Si/Si _x Ge_1–x interfaces, ranges of f and t were identified by Bloch-wave and multi-slice image simulations at 400 keV for which a quasi-linear functional relationship between the composition x and the first-order Fourier coefficients of the image intensity exists. By application of a novel image-processing algorithm, which allows a precise measurement of image Fourier coefficients in geometrically distorted lattice images, local composition values x can be determined at near-atomic resolution with an accuracy of x ±0.1 and interface sharpness can be detected at the atomic level. Recent applications of the method to the characterization of interfaces of strained Si _x Ge_1–x layers and short-period Si _m Ge _n superlattices fabricated by different deposition techniques will be presented.     

Elastic stress fields caused by a dislocation in Ge x Si1−x /Si film-substrate system

The elastic stress fields caused by a dislocation in Ge_xSi_(1-x) epitaxial layer on Si substrate are investigated in this work. Based on the previous results in an anisotropic bimaterial system,the image method is further developed to determine the stress field of a dislocation in the film-substrate system under coupled condition. The film-substrate system is firstly transformed into a bimaterial system by distributing image dislocation densities on the position of the free surface. Then,the unknown image dislocation densities are solved by using boundary conditions,i.e.,traction free conditions on the free surface. Numerical simulation focuses on the Ge0.1Si0.9/Si film-substrate system. The effects of layer thickness,position of the dislocation and crystallographic orientation on the stress fields are discussed. Results reveal that both the stresses σxx,σxz at the free surface and the stress σxy,σyy,σyz on the interface are influenced by the layer thickness,but the former is stronger. In contrast to the weak dependence of stress field on the crystallographic orientation the stress field was strongly affected by dislocation position. The stress fields both in the film-substrate system and bimaterial system are plotted.     

Anomalous spin relaxation and quantum criticality in Mn1 − x Fe x Si solid solutions

We report results of the high frequency (60 GHz) electron spin resonance (ESR) study of the quantum critical metallic system Mn_{1 ? x} Fe _x Si. The ESR is observed for the first time in the concentration range 0 < x < 0.24 at temperatures up to 50 K. The application of the original experimental technique allowed carrying out line shape analysis and finding full set of spectroscopic parameters, including oscillating magnetization, line width and g factor. The strongest effect of iron doping consists in influence on the ESR line width and spin relaxation is marked by both violation of the classical Korringa-type relaxation and scaling behavior. Additionally, the non-Fermi-liquid effects in the temperature dependence of the ESR line width, which may be quantitatively described in the theory of Wölfle and Abrahams, are observed at quantum critical points x* ～ 0.11 and x _c ～ 0.24.     

Subsurface localization of charge carriers in Si/SiO2/Si x Ge1 − x nanostructures

Analysis of the capacitance-voltage (C-V) characteristics reveals an elevated concentration of charge carriers under the surface of a silicon substrate due to the formation of elastically stressed regions induced in the substrate by Si _x Ge_{1 ? x} nanoislands grown on the preliminarily oxidized Si surface. The C-V characteristics exhibit charge density peaks at a depth from 700 to 1000 nm for Si/SiO₂/Si _x Ge_{1 ? x} structures with various thicknesses of the SiO₂ layer. The results of theoretical calculations of the electron density distribution in the bulk of the silicon substrate correspond on the whole to the C-V characteristics. The state of the interfaces in the structures with different thicknesses of the oxide layer, which determines the effects of surface and interfacial recombination as well as charge carrier scattering, is studied by analyzing the kinetics of decay of a photo-emf signal and the photo-emf distribution over the surface of the structure. The results can be used in the development of various devices based on SiGe with inclusions of oxide layers.     

Specific features of the electron paramagnetic resonance spectrum in the vicinity of the convergence of the transitions of gadolinium centers in Pb5(Ge1 − x Si x )3O11

An anomalous electron paramagnetic resonance spectrum of the transitions ?1/2 ? +1/2 of four Gd³⁺-Si dimer clusters in the Pb₅(Ge_{1 ? x} Si _x )₃O₁₁ crystals doped with gadolinium has been found in the vicinity of the orientation of the magnetic field along the optic axis of the crystal. It has been assumed that this spectrum is caused by rapid transitions between the spin packets of the initial resonances due to the crossrelaxation. A computer simulation of the spectrum has been carried out. The results obtained adequately describe the experiment.     

Influence of germanium incorporation on the structural and electrical properties of boron-doped ultrathin poly-Si1−x Ge x films deposited by chemical vapour deposition

A few properties of polycrystalline silicon germanium (poly-Si_1?x Ge _x ) films can be tailored by modulating the germanium incorporation. In this paper, the structural, mechanical and electrical properties of heavily doped ultrathin (~100 nm) poly-Si_1?x Ge _x films (0.84 ≤ x ≤ 0.88) fabricated by low-pressure chemical vapour deposition were investigated. For a boron concentration of ~2.2 × 10²¹ atoms/cm³, a slight increase of germanium fraction significantly enhances the deposition rate, crystallinity and Hall mobility while having negligible influence on the Young’s modulus and hardness. The grain size increases from ~6 to ~12 nm while the grain structure becomes more columnar. In addition, the resistivity decreases from 7.4 to 1.1 m Ω cm with a corresponding increase in the Hall mobility from ~0.9 to ~4.2 cm² V^?1 s^?1. However, the Young’s modulus (~101 GPa) and hardness (~8.8 GPa) are virtually unaffected within the range of germanium fraction explored. In practice, poly-SiGe layer having low resistivity, high modulus, high mobility and low surface roughness can be successfully applied for resonators, biosensors and nanoswitches among others.     

Oxidation of Si(100)2x1 and Gex Si1−x (100)2x1

High resolution electron energy loss Spectroscopy (HREELS), X-ray photoelectron Spectroscopy (XPS) and low energy electron diffraction (LEED) have been used to characterize initial stages of oxidation of Si(100)2x1 and Ge_x Si_1−x (100)2x1 surfaces. Different oxidation stages of Si were identified by measuring Si 2p core level shifts and characteristic vibrations of Si-O-Si complexes. The latter may be described in the framework of continuous random network models.Then,from the experimentally determined frequencies, force constants,average bond angles and bond lengths are determined. Complementary,marker experiments with atomic hydrogen as a probe in conjunction with HREELS were used to determine the local, atomic structure for different stages of oxidation from chemical shifts of Si-H and Ge-H stretching mode intensities, respectively.     

Specific features of magnetoresistance during the antiferromagnet—paramagnet transition in Tm1 − x Yb x B12

The transverse magnetoresistance Δρ/ρ(H, T) of Tm_{1 ? x} Yb _x B₁₂ single crystals is studied in the ytterbium concentration range corresponding to the antiferromagnet-paramagnet transition in a magnetic field up to 80 kOe at low temperatures. A magnetic H-T phase diagram is constructed for the antiferromagnetic state of substitutional Tm_{1 ? x} Yb _x B₁₂ solid solutions with x ≤ 0.1. The contributions to the magnetoresistance in the antiferromagnetic and paramagnetic phases of the dodecaborides under study are separated. Along with negative quadratic magnetoresistance -Δρ/ρ ∝ H ₂, the magnetically ordered phase of these compounds is found to have component Δρ/ρ ∝ H that linearly changes in a magnetic field. The negative contribution to the magnetoresistance of Tm_{1 ? x} Yb _x B₁₂ is analyzed in terms of the Yosida model for a local magnetic susceptibility.     

Influence of C on Ge incorporation in the growth of Ge-rich Ge1−x−ySixCy alloys on Si (100)

Amorphous carbon nitride powders are successfully produced by ammonothermal synthetic routes. The existence of the chemical bonding of C≡N in the powders is confirmed by Raman and infrared spectra. Raman spectra of various samples show that the G-band frequency shifts to higher energies, and the intensity ratio I_D/I_G decreases as the N content increases. The Knoop hardness of the sintering sample is up to 1200 kgf/mm². The hardness of the sample increases with increasing of the N content. Received: 24 May 2000 / Accepted: 26 May 2000 / Published online: 2 August 2000     

A transmission electron microscopy study of composition in Si1− x Ge x /Si (001) quantum dots

A finite-element programme has been developed to model strain relaxation in the case of epitaxial Si_{1? x} Ge _x /Si coherent quantum dots either with or without compositional inhomogeneities. The resulting elastic displacement fields are used to calculate the intensity of dynamical plan view TEM images of such quantum dots. Various types of linear or parabolic compositional inhomogeneities are studied. TEM images of quantum dots with such inhomogeneities are calculated as well as those of quantum dots with a homogeneous composition. They are then compared with experimental images. It is shown how the analysis of the main features of these experimental images (black/white lobes and moiré-like fringes) enables us to determine the conditions in which it is possible to distinguish quantum dots with a homogeneous composition from those with compositional inhomogeneity.     

Dynamics of the phase transitions in the system of nonequilibrium charge carriers in quantum-dimensional Si1 − x Ge x /Si structures

The dynamics of the phase transition from an electron-hole plasma to an exciton gas is studied during pulsed excitation of heterostructures with Si_{1 ? x} Ge _x /Si quantum wells. The scenario of the phase transition is shown to depend radically on the germanium content in the Si_{1 ? x} Ge _x layer. The electron-hole system decomposes into a rarefied exciton and a dense plasma phases for quantum wells with a germanium content x = 3.5% in the time range 100–500 ns after an excitation pulse. In this case, the electron-hole plasma existing in quantum wells has all signs of an electron-hole liquid. A qualitatively different picture of the phase transition is observed for quantum wells with x = 9.5%, where no separation into phases with different electronic spectra is detected. The carrier recombination in the electron-hole plasma leads a gradual weakening of screening and the appearance of exciton states. For a germanium content of 5–7%, the scenario of the phase transition is complex: 20–250 ns after an excitation pulse, the properties of the electron-hole system are described in terms of a homogeneous electron-hole plasma, whereas its separation into an electron-hole liquid and an exciton gas is detected after 350 ns. It is shown that, for the electron-hole liquid to exist in quantum wells with x = 5–7% Ge, the exciton gas should have a substantially higher density than in quantum wells with x = 3.5% Ge. This finding agrees with a decrease in the depth of the local minimum of the electron-hole plasma energy with increasing germanium concentration in the SiGe layer. An increase in the density of the exciton gas coexisting with the electron-hole liquid is shown to enhance the role of multiparticle states, which are likely to be represented by trions T ⁺ and biexcitons, in the exciton gas.     

Superconductivity,crystallization, and structural relaxation of the new metallic glass system La1−x Si x (0.15≤x≤0.27)

New metallic glass alloys have been prepared by melt spinning of La–Si samples in a pumped system. The superconducting transition temperature,T _c , increases linearly with the La concentration, from 3.00 K at 73 at. % La to 3.80 K at 85 at. %. Three new metastable phases: -, -, and -La₃Si, were formed by annealing and crystallizing amorphous La₃Si. Their crystal structures are orthorhombic (a=6.32 Å,b=8.06 Å,c=9.96 Å), hcp (a=10.55 Å,c=5.05 Å), and tetragonal (a=6.92 Å,c=5.05 Å) resp.T _c increased to 3.75 K, 6.00 K and 6.80 K, resp. During low temperature anneals of an amorphous La₃Si alloy,T _c changed logarithmically with time.On leave from Institute of Physics, Academica Sinica, Beijing, China     

Anomalies of the refractive index and the optical energy gap of ferroelectric Pb1−x Ge x Te

The refractive index and the optical energy gap of Pb_1–x Ge _x Te (0x0.11) have been determined from transmission- and reflectivity measurements in the temperature range from 4.2 K to 300 K. At the ferroelectric phase transition a change of the temperature coefficient of both quantities is observed. A two bandk·p model calculation demonstrates a correlation of the optical energy gap with the high frequency dielectric constant. For higher values ofx (x=0.09) a splitting of absorption edge and birefringence have been observed.     

Interplay of the doped Ge atoms and the N vacancies with the negative thermal expansion of M3(Cu1−x Ge x )N1−y

The giant negative thermal expansion (NTE) found in the anti-perovskite manganese nitride could be controlled by the content of the doped Ge and the vacancies of N. In this paper, the origin of such a tunable thermal expansion behavior is systematically studied. Our calculations indicate that the doped Ge atoms enhance the NTE property of the compound, and the existing N vacancies have a weak influence on the NTE property. Furthermore, the change of the exchange parameters between Mn ions with the content of the doped Ge as well as with the N vacancies in the compound is revealed, from which the relative stabilities of different magnetic phases in the concerned compounds can be explained.     

Specific features of the structural transformations in La1 − x Ca x Mn0.98 57Fe0.02O3 + δ (x = 0.05−0.50)

The specific features of the structural transformations in La_{1 ? x} Ca _x Mn_0.98 ⁵⁷Fe_0.02O_{3 + δ} (x = 0.05?0.50) at different Ca concentrations have been studied using Mössbauer spectroscopy and X-ray diffraction. Variations of the heat treatment conditions (annealing in vacuum and in air) cause reversible phase transitions. For calcium concentrations to 20%, a whole set of phases with reversible structural transitions, such as PnmaII ? PnmaI ? $R\bar 3c$ , can be obtained using the corresponding heat treatment. The phases are successively suppressed with increasing calcium concentration. The rhombohedral phase is suppressed for x = 0.20. When the Ca concentration exceeds 20%, the PnmaII phase is suppressed; as a result, the PnmaI phase with equal concentrations of Mn⁴⁺ and calcium stable during any heat treatments remains. The specific features of phase formation in the La_{1 ? x} Ca _x Mn_0.98 ⁵⁷Fe_0.02O_{3 + δ} compound doped with calcium and in the basis LaMnO_{3 + δ} compound have been compared.     

Highly strained metastable structures and selective area epitaxy of Ge-rich Ge1−xSix/Si(100) materials using nanoscale building blocks

Low-temperature heteroepitaxy (330 ^°C–430 ^°C) of Si_0.5Ge_0.5 and Si_0.25Ge_0.75 on Si(100) using single-source silyl-germanes [ SiH₃GeH₃,HSi(GeH₃)₃] produces monocrystalline structures, smooth and continuous surface morphologies and low defect densities. The metastable compressive strain in these films is dramatically enhanced relative to alternative growth methods. At such low temperatures the material grows seamlessly, conformally, and selectively in the “source/drain” regions of prototypical transistors. These results suggest that films grown via silyl-germanes could have applications in optoelectronics and as stressors for mobility enhancement in Si devices.     

Antihysteresis of the electrical resistivity of graphene on a ferroelectric Pb(Zr x Ti1 − x )O3 substrate

A quantitative model is developed to explain the antihysteretic behavior of the electrical resistivity of graphene on a ferroelectric Pb(Zr _x Ti_{1 ? x} )O₃ substrate as a function of the gate voltage. The model takes into account the trapping of the electrons from the graphene layer by the states related to the graphene-ferroelectric interface. The finite energy gap of impurity states is also taken into account, which makes it possible to describe the well-known experimental dependences, including an increase and the subsequent saturation of a “memory window” with the switching gate voltage. The obtained estimates can be important for creating next-generation nonvolatile memory elements, which use the two stable values of electrical resistivity (one of them is attributed to logical “0” and the other, to “1”) that result from the antihysteresis effect.     

Electrical characterization studies of p-type Ge,Ge1−ySny,and Si0.09Ge0.882Sn0.028 grown on n-Si substrates

The electrical properties of p-type Ge, Ge_1−ySn_y, and Si_0.09Ge_0.882Sn_0.028 samples grown on n-type Si substrates using ultra-high vacuum chemical vapor deposition have been investigated as a function of temperature. Degenerate parallel conducting layers were found in all Ge/Si, Ge_1−ySn_y/Si, and Si_0.09Ge_0.882Sn_0.028/Si samples, which are believed to be associated with dislocation defects at the interface produced by the lattice mismatch between the two materials. These degenerate conducting layers affect the electrical properties of all the thin epitaxial films. Additionally, temperature dependent Hall-effect measurements show that these materials exhibit a conductivity type change from p to n at around 370–435 K. The mobilities of these samples are generally lower than that of bulk Ge due to carrier scattering near the interface between the epitaxial layer and the Si substrate and also due to alloy scattering. Detailed behavior of temperature-dependent conductivity of these samples is also discussed.