Atomic structure of two-dimensional binary surface alloys: Si(111)-√21 × √21 superstructure

The atomic structures of Au and Ag co-adsorption-induced √21 × √21 superstructure on a Si(111) surface, i.e., (Si(111)-√21 × √21-(Au, Ag)), where the Si(111)-5 × 2-Au surface is used as a substrate, have been investigated using reflection high-energy positron diffraction (RHEPD) and photoemission spectroscopy. From core-level spectra, we determined the chemical environments of Ag and Au atoms present in the Si(111)-√21 × √21-(Au, Ag) surface. From the rocking curve and pattern analyses of RHEPD, we found that the atomic coordinates of the Au and Ag atoms were approximately the same as those of the Au and Ag atoms in other Si(111)-√21 × √21 surfaces with different stoichiometries. On the basis of the core-level and RHEPD results, we revealed the atomic structure of the Si(111)-√21 × √21-(Au, Ag) surface.     

A Cu(1 1 1)(√3×√3)R30°-Sb structure by impact collision ion-scattering spectroscopy

We have investigated the structures of Cu(1 1 1)(√3×√3)R30°-Sb using time of flight-impact collision ion-scattering spectroscopy. The experimental data and computer simulations support a structural model for the Cu(1 1 1)(√3×√3)R30°-Sb structure in which Sb atoms displace up to 1/3 of the first layer of Cu atoms and incorporate them into the first Cu layer with the Sb atoms displaced outward 0.40 Å with respect to the first-layer Cu atoms. The outermost first layer of Sb and Cu atoms shift from fcc- to hcp-hollow sites (only the top layer of Sb and Cu atoms occupies hcp hollow sites).     

Hydrogen chemisorption on Si(111)√ 3×√ 3R30∘-B passivated surface studied by thermal desorption and scanning tunneling microscopy

Atomic H chemisorption on the Si(111)√ 3×√ 3R30^°-B surface has been studied by thermal desorption spectroscopy (TDS) and scanning tunneling microscopy (STM). The B-modified Si surface is known to be inert towards adsorbates, since the surface dangling bonds of Si adatoms are passivated by B atoms sitting in sub-surface sites. However, it was found that even on a perfectly passivated surface, H is adsorbed on the surface by destroying the original √ 3 × √ 3 structure. STM observations revealed that H exposure led to the creation of defects at surface sites, and H was subsequently adsorbed as Si-monohydride at these sites. H exposure also caused cluster island formation at the top surface. The islands are composed of hydrogenated amorphous Si atoms or B-hydrogen complexes.     

Structural analysis of Si(111)-√21 × √21-(Ag,Cs) surface by reflection high-energy positron diffraction

We have investigated the Si(111)-√21 × √21-(Ag, Cs) superstructure using reflection high-energy positron diffraction. Rocking curve analysis based on the dynamical diffraction theory reveals that Cs atoms are located at a height of 3.04 Å above the underlying √3 × √3-Ag structure and that they form a triangular structure with a side length of 10.12 Å. The structure of the Si(111)-√21 × √21-(Ag, Cs) surface is significantly different from those of the Si(111)-√21 × √21-Ag and Si(111)-√21 × √21-(Ag, Au) surfaces, probably because of the different electronic structures of the alkali and noble metal atoms.     

The structure of methylthiolate and ethylthiolate monolayers on Au(111): Absence of the (√3 × √3)R30° phase

Surface structures of self-assembled methylthiolate and ethylthiolate monolayers on Au(111) have been imaged with STM. For saturation coverage of 0.33 ML at room temperature, the well-known (√3 × √3)R30° phase routinely observed for longer chain alkanethiolates does not appear under any conditions for adsorbed methylthiolate and ethylthiolate. Instead, both thiolate species organize themselves into a well-ordered 3 × 4 structure. We thus conclude that the stable structure for saturation coverage of methylthiolate/ethylthiolate on Au(111) at RT is 3 × 4, not (√3 × √3)R30° as generally believed. For coverage less than 0.33 ML, a striped-phase with short-range order is observed for methylthiolate. Fourier transform of the STM image from the striped-phase produces a clear (√3 × √3)R30° “diffraction” pattern. This strongly indicates that the (√3 × √3)R30° diffraction pattern for methylthiolate monolayers reported in literature is likely from the striped-phase, rather than from a true (√3 × √3)R30° lattice in real space. Consequently, theoretical modeling that reproduces the (√3 × √3)R30° structure for methylthiolate monolayers should be re-examined.     

Haven Correlation Parameter for Diffusion of Fluorine in Superionic Conductors La1 – ySryF3 – y

Physics of the Solid State - The processes of electric charge transfer (conductivity) and mass transfer (diffusion) in La1 ‒ ySryF3 – y superionic...     

H/D Isotope Effect in the Conductivity of CaZr1 – xScxO3 – α in Reducing Atmospheres

Physics of the Solid State - The ionic (proton and deuteron) conductivity of the system CaZr1 – xScxO3 – α (x = 0.03–0.20) is studied...     

Synthesis and electrical properties of nanocrystalline Ca1 − xEuxMnO3 ± δ (0.1 ≤ x ≤ 0.4) powders prepared at low temperature using citrate gel method

Nanopowders of Ca_1 − xEu_xMnO₃ (0.1 ≤ x ≤ 0.4) manganites were synthesized as a single phase using the auto gel-combustion method. The citrate method shows to be simple and appropriate to obtain single phases avoiding segregation or contamination. The Ca_1 − xEu_xMnO₃ system has been synthesized at 800 °C during 18 h, against the conventional method of mixing oxides used to obtain these materials at higher temperatures of synthesis. The formation reaction was monitored by X-ray diffraction (XRD) analysis and an infrared absorption technique (FTIR). The polycrystalline powders are characterised by nanometric particle size, ∼ 48 nm as determined from X-ray line broadening analysis using the Scherrer equation. Morphological analysis of the powders, using the scanning electron microscope (SEM), revealed that all phases are homogeneous and the europium-substituted samples exhibit a significant decrease in the grain size when compared with the undoped samples. The structure refinement by using the Rietveld method indicates that the partial calcium substitution by europium (for x ≥ 0.3) modifies the orthorhombic structure of the CaMnO₃ perovskite towards a monoclinic phase. All manganites show two active IR vibrational modes around 400 and 600 cm^− 1. The high temperature dependence of electrical resistivity (between 25 and 600 °C) allows us to conclude that all the samples exhibit a semiconductor behaviour and the europium causes a decrease in the electrical resistivity by more than one order of magnitude. The results can be well attributed to the Mn⁴⁺/Mn³⁺ ratio.     

Effect of Eu dopant concentration in SrCe1 − xEuxO3 − δ on ambipolar conductivity

The europium dopant concentration in strontium cerate was studied to achieve maximum hydrogen permeation. In order to determine high ambipolar conductivity, total conductivity and open circuit potential measurements were performed. Among the three different compositions of Eu-doped SrCe_1 ? xEu_xO_3 ? δ (x = 0.1, 0.15 and 0.2) studied, SrCe_0.9Eu_0.1O_3 ? δ showed highest total conductivity between 600 °C and 900 °C. However, transference number measurements showed increasing electronic conductivity with increasing dopant concentration and a stronger temperature dependence for electronic conduction. Therefore, the highest ambipolar conductivity was obtained over the compositional range from SrCe_0.85Eu_0.15O_3 ? δ to SrCe_0.8Eu_0.2O_3 ? δ depending on temperature. Finally, the hydrogen permeation flux was calculated based on the ambipolar conductivity and compared with experimental results.     

6H-SiC(0001)-6√3×6√3R30°重构表面的同步辐射角分辨光电子能谱研究

利用同步辐射角分辨光电子能谱(SRARPES)对6H-SiC(0001)-6√3×63√R30°重构表面的电子结构和表面态进行了研究.通过鉴别价带谱中来自于体态的信息,可以推断出重构表面的费米能级位于体态价带顶之上(2.1±0.1)eV处.实验测出的体能带结构与理论计算的结果较为符合.在重构表面上发现三个表面态,分别位于结合能-0.48 eV(S0),-1.62 eV(S1)和-4.93 eV(S2处.沿着表面布里渊区的高对称线ΓKM方向,测量了相关表面态的能带色散,只有表面态S0(-0.48 eV)表现出了所希望的6√3×6√3 R30°重构周期性.根据实验现象,可以认为,表面态S0应归结于重构表面的C-C悬键,而表面态S1则由重构表面未钝化的C悬键所导致.     

Tuneability of Sm(1 − x)CexFeO3 ± λ perovskites: Thermal stability and electrical conductivity

Trimetallic perovskite oxides, Sm_(1 ? x)Ce_xFeO_3 ± λ (x = 0–0.05), were prepared by thermal decomposition of amorphous citrate precursors followed by calcinations. The material properties of the substituted perovskites were characterized by X-ray diffraction (XRD), X-ray florescence spectroscopy (XRF), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The doped materials exhibited a single perovskite phase in air up to 1350 °C and have specific surface areas in the range of 2.696–8.665 m²/g. In reducing atmosphere (5%v/vH₂/N₂), the unsubstituted perovskite (x = 0) decomposed into two phases while the ceria stabilized materials (x = 0.01, x = 0.03, x = 0.05) remained in a single phase as revealed by XRD analysis. Their conductivities were measured by the four point probe method in air and in dilute hydrogen (5%v/vH₂/N₂) separately. The ceria substituted materials show increased stability versus reduction and phase separation for a wide temperature range (up to 1000 °C). Although undoped SmFeO₃ has higher conductivity under oxidizing conditions than ceria doped SmFeO₃ due its p-type nature, the situation is reversed under reducing conditions. The ceria substituted perovskites (Sm_(1 ? x)Ce_xFeO_3 ± λ, x = 0–0.05) showed higher conductivity in reducing than in oxidizing conditions, suggesting that ceria doping at the A-site has changed the SmFeO₃ from p-type to n-type semi-conducting behavior.     

On the superconductivity and structural properties of YBa2Cu3 − xCdxO7 − y

A series of superconducting cuprates with the nominal composition YBa₂Cu_3 − xCd_xO_7 − yand the effect of Cd substitution on Cu sites in this compound is presented. X-ray powder diffraction patterns for these cadmium cuprates with reduced diamagnetism indicate an orthorhombic unit cell like-perovskite structure for (0 ≤ x ≤ 0.15), while for higher Cd concentration, i.e.x = 1.0 the material is polyphasic. The observed superconducting transition temperature of the samples is nearly the same ([formula] K), except for (x = 1.0) whereT_cdrops to 72 K and a transition from metallic to semiconducting behavior of the normal state of the resistivity is observed. Such a decrease inT_cfor higher Cd concentration could be attributed to the presence of the green phase in this composition.     

Modification of B-site doping of perovskite LaxSr1 − xFe1 − y−zCoyCrzO3 − δ oxide by Mg2+ ion

Co-doping B-site of perovskite oxide La_xSr_1 ? xCo_yFe_1 ? yO_3 ? δ (LSCFO) with Cr⁶⁺ and Mg²⁺ ions has been attempted in this research for revamping chemical stability and oxygen ionic conductivity of this mixed conducting oxide. It is known that partial substitution for B-site cations of LSCFO by Cr gives rise to a significant improvement on chemical and thermal stability of the perovskite oxide. On the basis of this doped structure, introduction of an immaterial dose of Mg²⁺ ion into its B-site results in a microstructure consisting of smaller grains with higher density than its precursor. Furthermore, the resulting perovskite oxide La_0.19Sr_0.8Fe_0.69Co_0.1Cr_0.2 Mg_0.01O_3 ? δ (LSFCCMO) displays higher O^2? conductivity than the solely Cr-doped LSCFO besides the improved chemical stability against reduction in 5% CH₄/He stream at 850 °C. A detailed examination of the oxidation states of B-site transition metal ions by XPS has also been conducted as a part of structural characterizations of LSFCCMO. The assessment of relative O^2? conductivity shows that the grain boundary area plays a more important role than the bulk phase in facilitating ion transport, but with comparable boundary areas the higher densification level is favorable.     

SrTiO3(100) − √5 × √5 − R26.6 surface observed by high-resolution scanning tunneling microscopy

SrTiO₃(100) – (√5 × √5) – R26.6 surfaces were studied by means of high-resolution scanning tunneling microscopy (STM) under ultrahigh vacuum conditions. By varying the bias voltage in the occupied state, it was possible to observe the arrangement of titanium and oxygen atoms in the unit cells of a (√5 × √5) surface superstructure, which revealed that the TiO₂ layer is the terminating plane of the (√5 × √5) surface. In the STM images, peculiar protrusions were seen at the oxygen fourfold hollow site responsible for √5 × √5 periodicity. The protrusions are asymmetrical in contrast, which would be an important consideration in proposing accurate structural models for (√5 × √5) surface superstructures.     

Electronic structure of CuClxBr1 − x,CuClxI1 − xand CuBrxI1 − xalloys

In this work, the electronic structure and disorder effects in copper halides alloys are studied by means of the full potential linearized augmented plane wave (FLAPW) method. The calculated bowing parameter shows that the main contribution is due to the relaxation effects, though the charge transfer remains relatively significant, while the volume deformation contribution is negligible. The total bowing is found to be small in the three studied alloys. Results agree well with experimental and available theoretical works.     

Performance evaluation of 64 × 10 Gbps and 96 × 10 Gbps DWDM system with hybrid optical amplifier for different modulation formats

In this paper, we investigated the performance of multi terabits DWDM system consisting of hybrid optical amplifier RAMAN-EDFA for different data format such as non-return to zero (NRZ), return to zero (RZ) and differential phase shift keying (DPSK). We find that in 64 × 10 and 96 × 10 Gbps, RZ is more adversely affected by nonlinearities, where as NRZ and DPSK is more affected by dispersion. We further show that RZ provide good quality factor (13.88 dB and 15.93 dB for 64 and 96 channels), less eye closure (2.609 dB and 3.191 dB for 64 and 96 channels) and acceptable bit error rate (3.89 × 10⁸ and 1.24 × 10⁹ for 64 and 96 channels) at the respective distance as compare to other existing modulation format. We further investigated the maximum single span distance covered by using existing data formats.