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.     

Crystal structure of the superconducting infinite-chain cuprate Ba2Cu2.89O6−y

The orthorhombic structure of Ba₂Cu_2.89O_6−y (sp. gr. Pccm, a=13.065(15), b=20.654(21) and c=11.431(8) Å) contains two nonintersecting symmetrically equivalent sets of parallel CuO₂-chains running along [110] and [1̄10] directions. Along the c-axis the Cu–O sheets are separated by identical layers of Ba-atoms. The Cu–O chains are distorted within the xy plane producing zigzag. Three of 14 positions of copper atoms were found to be partly vacant that caused the significant shifts of the neighbouring Ba atoms in the plane. The determined structure of Ba₂Cu_2.89O_6−y is compared to that of the monoclinic Ba₂Cu₃O₆ modification, of another infinite-chain compound Sr_0.73CuO₂, and to one of the substructures of ladder compounds (Sr,Ca)₁₄Cu₂₄O_41+y. The superconductivity in Ba₂Cu_2.89O_6−y is associated with the CuO₂-chains consisting of CuO₄-squares sharing edges. The attention is paid to the coincidence of the temperatures of the superconducting transitions in Ba₂Cu_2.89O_6−y and in ladder compound with the temperature of the sharp magnetic transition in another infinite-chain compound Sr_0.73CuO₂.     

High-Moment-Low-Moment Description of Magnetovolume Effects in Y(Mn x Al 1− x ) 2 and Y x Sc 1− x Mn 2

Based on the assumption of a high-moment-low-moment instability of the Mn atom, we construct a simple spin model with coupled magnetic and spatial degrees of freedom to describe the Laves phase systems Y(Mn x Al 1 m x ) 2 and Y x Sc 1 m x Mn 2 . Monte Carlo simulations of this model qualitatively reproduce anomalies observed in these materials like a discontinuous giant volume change and anomalous thermal expansion behavior.     

Thermoelectric power of Ba(Fe1−x Co x )2As2 (0 ≤ x ≤ 0.05) and Ba(Fe1−x Rh x )2As2 (0 ≤ x ≤ 0.171)

Temperature-dependent, in-plane, thermoelectric power data are presented for single crystals of Ba(Fe_1?x Co _x )₂As₂ (0?≤?x?≤?0.05) and Ba(Fe_1?x Rh _x )₂As₂ (0?≤?x?≤?0.171). Given that previous thermoelectric power and angle resolved photoemission spectroscopy studies of Ba(Fe_1?x Co _x )₂As₂ delineated a rather large Co-concentration range for Lifshitz transitions to occur, and the underdoped side of the phase diagram is poorly explored, new measurements of thermoelectric power on tightly spaced concentrations of Co, 0?≤?x?≤?0.05, were carried out. The data suggest evidence of a Lifshitz transition, but instead of a discontinuous jump in thermoelectric power in the range 0?≤?x?≤?0.05, a more gradual evolution in the S(T) plots as x is increased was observed. The thermoelectric power data of Ba(Fe_1?x Rh _x )₂As₂ show very similar behavior to that of Co substituted BaFe₂As₂. The previously outlined T–x phase diagrams for both systems are further confirmed by these thermoelectric power data.     

Band gap control and photoluminescence properties of Ba(Co2x Ti1−x )O3 thin films prepared by Sol–gel method

This paper reports on the preparation, characterization and optical properties of transparent Ba(Co_2x Ti_1?x )O₃ (0 ≤ x ≤ 0.06) thin films prepared by sol–gel method and deposited on fused quartz substrate by spin-coating technique. Their formation is confirmed by X-ray diffraction patterns, energy dispersive X-ray spectrometry and Fourier transformed infrared measurements. Hitherto unreported near-band-gap photoluminescence in ultraviolet, at 378 nm (3.28 eV), of exciton origin is observed which remains unaffected with change in excitation wavelength from 320 to 350 nm. A weak defect emission appears in green region. For larger excitation wavelength, i.e., 488 nm, emission arising from localized states again occurs in green region but with lower energy. The occurrence of efficient violet–blue PL emission is related to ‘direct’ band gap and shallow levels with high optical band gap values. Analysis of band gap variation with dopant concentration, determined using Tauc’s plot assuming them both of ‘direct’ and ‘indirect’ nature, also indicates the ‘direct’ nature. Co⁺² ions as dopants promote a decrease of band gap of films linearly. Scanning electron micrographs show the granular and flakes-like surface growth. Atomic force microscopy images show the presence of ribbon-like nanostructured grains throughout the surface of the films which is smooth with small values of surface roughness.     

Photoluminescence properties of Ce3＋ and Mn2＋-activated Ba9Sc2Si6O24 phosphor for white light emitting diodes

A single-phased silicate compound (Ba1-xCex)9(Sc1-yMny)2Si6O24 was prepared by solid-state reaction at high temperature. From powder X-ray diffraction (XRD) analysis, the formation of Ba9Sc2Si6O24 with an R3 space group was confirmed. In the photoluminescence spectra under ultraviolet (UV) ray excitation, the Ba9Sc2Si6O24:Ce3+,Mn2+ phosphor emits two distinctive color light bands: a blue one originating from Ce3+and a red one caused by Mn2+. The energy transfer process from Ce3+ to Mn2+ was confirmed, the critical radius as well as the transfer efficiency was calculated, and the energy transfer mechanism was discussed. In addition, the decay-time testing indicates that the energy transfer efficiencies from Ce(1) to Mn2+ and Ce(2) to Mn2+ are different. The emission chromaticity of Ba9Sc2Si6O24:Ce3+,Mn2+ phosphor could be tuned from blue to red by altering the Ce3+/Mn2+ concentration ratio.     

Crystal structure and magnetic state of the LaMn1−x VxO3 perovskites

The crystal structure and the magnetic state of polycrystalline LaMn_1?x V_xO₃ (0.1<x<0.9) compounds have been studied by x-ray and neutron diffraction methods, as well as by magnetization and ac susceptibility measurements. It is shown that substitution of vanadium for manganese ions leaves the orthorhombic crystal structure of the compounds (space group Pnma) unchanged. The magnetic structure is observed to change from a canted antiferromagnetic ordering (wavevector k=[0, 0, 0], with the antiferromagnetic moments aligned with the a axis and the ferromagnetic component of the magnetic moment parallel to the b axis) at vanadium concentrations x<0.4 to a collinear antiferromagnetic ordering (with the magnetic moments parallel to the b axis) at x>0.8; at this transition occurs through an intermediate state exhibiting spin-glass properties.     

Crystal structure and luminescence properties of Lu3+ and Mg2+ incorporated silicate garnet [Ca3−(x+0.06)LuxCe0.06](Sc2−yMgy)Si3O12

The yellow-emitting phosphor [Ca_3?(x+0.06)Lu_xCe_0.06](Sc_2?yMg_y)Si₃O₁₂ obtained from Lu³⁺ and Mg²⁺ co-modified green-emitting silicate garnet Ca₃Sc₂Si₃O₁₂:Ce³⁺ (CSS:Ce³⁺) exhibits promising applications for white LEDs. In this paper, we discuss the effect of charge balance on the garnet structure formation. The changes of bond length and covalence caused by the replacement of Lu³⁺ and Mg²⁺ for Ca²⁺ and Sc³⁺ are analyzed. The shift of the Ce³⁺ emission and excitation can be attributed to the combined results from crystal field splitting effect and centroid shift of Ce³⁺ 5d levels. Thermal stability is analyzed according to configurational coordinate diagram.     

Spectroscopy and laser operation of Nd-doped mixed sesquioxides (Lu1?x Sc x )2O3

We report on crystal growth, spectroscopic investigations, crystal field tuning, and laser experiments of neodymium doped mixed sesquioxides (Lu_1?x Sc _x )₂O₃. Crystals were grown by the Nacken?CKyropoulos and the Heat-Exchanger method. Emission spectra for several mixing ratios are presented. Cw laser experiments were carried out with a 0.35?at.%-doped Nd:Lu_1.82Sc_0.18O₃ crystal by using a Ti:sapphire laser as pump source, achieving a maximum slope efficiency of 47?% with respect to the absorbed pump power and a maximum output power of 356?mW at a wavelength of 952.7?nm. To the best of our knowledge, this represents the first continous wave (cw) laser operation of a Nd-doped mixed sesquioxide.     

Crystal structure of aluminium containing superconducting oxides: single crystal study of GdBa2Cu3−x AL x O6.88 (x=0.28) and ErBa2Cu3−y Al y O6.6 (y=0.14)

Following the discovery of the high temperature super-conductivity in YBa₂Cu₃O_7– (T _c 93 K) [1] it has been found that Y atoms can be substituted entirely by almost all of the rare-earth elements, except for Ce, Pr, and Tb, without changing the superconducting properties appreciably [2, 3]. The magnetic moments carried by the rare-earth atoms have apparently no influence on the superconducting properties. In Nd-, Sm-, Gd-, Dy- and Er-based compounds the rare earth moments order at low temperatures (0.025–2.2 K) [4–8] and the ordered antiferromagnetic state coexists with the superconducting state. We have investigated the antiferromagnetic ordering of these compounds by neutron diffraction both on powder and single crystal samples obtained from several laboratories [8–10]. Magnetic structures of all these compounds consist of antiferromagnetic (001) planes stacked ferro- or antiferromagnetically. There have been some controversies as to the stacking of antiferromagnetic (001) planes in GdBa₂Cu₃O_7–.     

Structure and dielectric properties of Bi6 − x Sr x Ti2 − x Nb2 + x O18 (x = 0–2) solid solutions

The structural and electrophysical characteristics of a series of solid solutions of layered perovs-kite-like oxides Bi_{6 ? x} Sr _x Ti_{2 ? x} Nb_{2 + x} O₁₈ (x = 0, 0.25, 0.5, 1.0, 1.5, 2.0) have been studied. The temperature dependences of the relative permittivity ?/?₀(T) and dielectric loss tangent tanδ have been measured. The dependences of the maximum of the permittivity ?/?₀, Curie temperature T _C, lattice parameters, and the unit cell volume on x have been obtained. The structural parameter a, which corresponds to the polar direction, and the value of the orthorhombic distortion of the unit cell have been found to demonstrate noticeable negative deviations from the Vegard’s law. It has been established that the variations of the orthorhombic distortion correlate with the variations of the permittivity maximum; however, they do not markedly influence the Curie temperature that varies linearly over entire range of changes in x.     

Phase transition and linear thermal expansion of (Pb1− x Ba x )ZrO3 ceramics

(Pb_{1? x} Ba _x )ZrO₃ ceramics for the composition range 0?≤?x?≤?0.30 were prepared by the mixed oxide solid state reaction method. Phase transition was studied by dielectric and dilatometric measurements. The ferroelectric to paraelectric phase transition temperature was progressively shifted to a lower temperature by replacing lead with barium. The x?=?0.20 sample showed the maximum dielectric constant of 16,300 at the transition temperature. For compositions 0?≤?x?≤?0.075, the antiferroelectric to ferroelectric phase transition exhibited a large linear thermal expansion. However, the antiferroelectric to ferroelectric phase transition did not exist for 0.10?≤?x?≤?0.30 samples. A phase diagram for PBZ ceramics prepared by the conventional mixed oxide method was also present.     

Oxygen non-stoichiometry, redox thermodynamics, and structure of LaFe1 − x Co x O3 − δ

The oxygen non-stoichiometry and redox thermodynamic properties of the LaFe_{1 ? x} Co _x O_{3 ? δ} system (x?=?0.25 and 0.75) are studied. At low temperatures, the LaCoO₃ and LaFeO₃ systems show partial solid solubility. At 1,273 K (in air), both compounds are single phases and are orthorhombic and rhombohedral for x?=?0.25 and 0.75, respectively. Thermogravimetry has been used to measure the oxygen non-stoichiometry versus oxygen partial pressure at three temperatures, 1,223, 1,273, and 1,323 K. Redox thermodynamic quantities are extracted directly from the oxygen non-stoichiometry curves. The extracted enthalpies of oxidation do not vary significantly with stoichiometry, and for x?=?0.25 and 0.75, they are ?640?±?60 and ?440?±?60 kJ (mol O₂)^?1, respectively. Ideal solid solution thermodynamic models are used to analyze the redox mechanisms.     

Dielectric nonlinearity of crystalline Li2−x NaxGe4O9 (x≈0.23)

The dielectric nonlinearity of ferroelectric Li_2−x Na_xGe₄O₉ (x≈0.23) crystals is measured in the neighborhood of the phase transition temperatures. The magnitude of the nonlinear coefficient β is estimated from the shift in T _c and the reduction in ɛ _max under the influence of E ₌, from the dielectric nonlinearity in the paraphase, and from the temperature dependence of P _s in crystalline Li_2−x Na_xGe₄O₉ (x≈0.23). The resulting values of β are 1.87, 1.26, 2.17, and 1.17×10⁻⁹ (CGSE cm²)⁻², respectively. The mechanism for the phase transition in crystalline Li_2−x Na_xGe₄O₉ (x≈0.23) is discussed. Fiz. Tverd. Tela (St. Petersburg) 41, 1070–1072 (June 1999)     

Fluorination of superconducting Ba2YCu3O9−δ

Using a series of samples ranging in composition from δ = 2 to δ = 3 we have successfully introduced substantial amounts of fluorine into samples of superconducting Ba₂YCu₃O_9-δ by annealing under F₂ gas flows at low temperatures. These syntheses yielded single phase materials containing up to 1.05 F per formula unit. ¹⁹F NMR experiments have confirmed that fluorine is incorporated into the lattice and susceptibility and transport measurements indicate that the samples are superconducting with critical temperatures in the range 80 to 89 K.     

A study of Ba x Mg1 − x F2 optical films

Ba _x Me_{1 ? x} F₂ binary fluoride films (“Me” denotes calcium or magnesium fluoride) are studied. A method of processing the reflection and transmission spectra is proposed to determine the optical constants. The dispersion dependences of the refractive indices and absorption coefficients of films in the range of 1.3–12 μm are found. Dispersion in films in the regions of additional absorption bands, which are absent in single crystals, is observed for the first time. It is shown that the films of binary fluorides have a higher packing density, a lower absorption, and better operating characteristics than do films of pure fluorides. The films are promising for application as optical interference coatings in the mid-IR spectral region.     

Optical spectroscopy and electronic structure of compounds HoNi5 − x Al x (x = 0, 1, 2)

The optical properties of the compounds HoNi_{5 ? x} Al _x (x = 0, 1, 2) have been investigated using the ellipsometric method in the wavelength range from 0.22 to 16 μm. The electronic structure of these intermetallic compounds has been calculated in the local electron-spin density approximation with the correction for strong electronic interactions in the 4f shell of the holmium ions. The experimental dispersion dependences of optical conductivity in the region of interband light absorption have been interpreted based on the results of the calculation of the electron density of states. The plasma and relaxation frequencies of electrons have been determined.     

Phase diagram and domain structure of the Rb2 x Tl2(1− x )Cd2(SO4)3 solid solutions

From measurements of temperature dependences of the birefringence and from observations of the domain structure the x, T–phase diagram for the Rb_{2 x} Tl_{2(1? x )}Cd₂(SO₄)₃ solid solutions have been obtained. Ferroelastic domain structure and movement of phase boundaries have been studied in the course of phase transitions in Rb_{2 x} Tl_{2(1? x )}Cd₂(SO₄)₃ crystals. Possible reasons for the appearance of mechanically non-compatible (‘forbidden’) ferroelastic domain walls are given.