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...     

Concentration Fluctuations in FexMn1 – xSi Chiral Ferromagnets in an External Magnetic Field

Physics of the Solid State - Magnetic h–T diagrams of FexMn1 – xSi chiral helicoidal ferromagnets with the Dzyaloshinskii–Moriya interaction are studied within...     

Spin Fluctuations and Concentration Magnetic Transitions in Chiral Helical Ferromagnets Fe1 – xCoxSi

Physics of the Solid State - The fluctuation theory is applied to the study of concentration transformations in Fe1 – xCoxSi disordered quasi-binary chiral helical...     

Specifics of Heat Transfer in AlxGa1 – xN/GaN Heterostructures on Sapphire

Physics of the Solid State - The thermal conductivity of AlxGa1 – xN/GaN heterostructures (0.05 ≤ x ≤ 1) fabricated on sapphire by molecular beam epitaxy is...     

Synthesis and Gas-Sensing Properties of MnO2 – x and MnO2 – x/CuO-Coated Multiwalled Carbon Nanotube Nanocomposites

Physics of the Solid State - Nanocomposites based on multiwall carbon nanotubes (MWCNTs) impregnated with manganese oxide MnO2 – x and copper oxide CuO are synthesized and...     

Interaction of Ag with the Si(1 1 1)1 × 1–H surface

Synchrotron radiation based photoemission spectroscopy (SRPES) and low energy electron diffraction (LEED) are used to study the interaction between Ag atoms and the Si(1 1 1)1 × 1–H surface. At an Ag coverage of 0.063 monolayers (ML) on the Si(1 1 1)1 × 1–H surface, the Si 2p component corresponding to Si–H bonds decreases, and an additional Si 2p component appears which shifts to a lower binding energy by 109 meV with respect to the Si bulk peak. The new Si 2p component is also observed for 0.25 ML Ag on the Si(1 1 1)7 × 7 surface. These findings suggest that Ag atoms replace the H atoms of the Si(1 1 1)1 × 1–H surface and form direct Ag–Si bonds. Contrary to the widely accepted view that there is no chemical interaction between Ag particles and the H-passivated Si surface, these results are in good agreement with recent first-principles calculations.     

Oxygen nonstoichiometry and defect equilibrium in La2 − xSrxNiO4 + δ

Nonstoichiometric variation of oxygen content in La_2 ? xSr_xNiO_4 + δ (x = 0, 0.1, 0.2, 0.3, 0.4) and decomposition P(O₂) were determined by means of high temperature gravimetry and coulometric titration. The measurements were carried out in the temperature range between 873 and 1173 K and the P(O₂) range between 10^? 20 and 1 bar. La_2 ? xSr_xNiO_4 + δ showed the oxygen excess and the oxygen deficient compositions depending on P(O₂), temperature, and the Sr content. The value of partial molar enthalpy of oxygen approaches zero as δ increases in the oxygen excess region, which indicate that the interstitial oxygen formation reaction is suppressed as δ increase. The relationship between δ and logP(O₂) were analyzed by two types of defect equilibrium models. One is a localized electron model, and the other is a delocalized electron model. Both models can well explain the oxygen nonstoichiometry of La_2 ? xSr_xNiO_4 + δ with a regular solution approximation.     

ICLAS of water in the 770 nm transparency window (12 746–13 558 cm−1). Comparison with current experimental and calculated databases

The absorption spectrum of water vapor has been investigated by intracavity laser spectroscopy (ICLAS) in the 12 746–13 558 cm^?1 spectral region corresponding to an interesting transparency window of the atmosphere, partly obscured by the A band of molecular oxygen.The achieved sensitivity—in the order of α_min～10^?9 cm^?1—has allowed one to measure 1062 water lines with intensities ranging from 1.6×10^?28 to 2.35×10^?24 cm/molecule at 296 K. A total of 169 new and improved energy levels belonging to 21 vibrational states could be determined from 374 newly measured transitions. The retrieved experimental line list is compared with the spectra calculated by Schwenke and Partridge, and Barber and Tennyson. Comparison with the available experimental databases shows that the obtained results represent a significant improvement of the knowledge of the water absorption in the considered region, in particular in the region of the oxygen A band.     

Fourier transform measurements of SO2 absorption cross sections:: I. Temperature dependence in the 24 000–29 000 cm−1 (345–420 nm) region

Absorption cross sections of SO₂ have been obtained in the 24 000–29 000 cm^?1 spectral range (345–420 nm) with a Fourier transform spectrometer at a resolution of 2 cm^?1. Pure SO₂ samples were used and measurements were performed at room temperature (298 K) as well as at 318, 338 and 358 K. This is the first time that temperature effects in this spectral region are reported and investigated. This paper is the first of a series that will report on measurements of the absorption cross section of SO₂ in the UV/visible region at a higher than previously reported resolution and that will investigate temperature effects in support of tropospheric, stratospheric and astrophysical or planetary applications.     

Pressure and compositional dependence of electric conductivity in the (Mg1 − xFex)1 − δO (x = 0.01–0.40) solid-solution

(Mg_1 ? xFe_x)_1 ? δO (x = 0.01–0.43) single crystals (~ 8 mm in diameter) were made by a melt-growth method. Electrical conductivity measurements were carried out as functions of temperature and frequency by a complex impedance method under pressure (~ 43 GPa and ~ 673 K and at 0.1 MPa and ~ 1400 K). Our experimental results show a change in charge transport mechanism in the (Mg_1 ? xFe_x)_1 ? δO solid solution at high temperature. The temperature of inflection point of the slope in Arrhenius plots depend greatly on both composition and extrinsic factors of crystals. The low-temperature conduction mechanism in (Mg_1 ? xFe_x)_1 ? δO solid solution is small polaron. Pressure effect of the electric conductivity was observed and the conductivity increased to 0.5 at log scale of S/m with increasing pressure up to 43.4 GPa. The activation energy was decreased linearly with increasing pressure. Chemical composition and homogeneity of specimen rather than pressure greatly influence the electric conductivity. The activation energy of 2.37(4) eV for the (Mg_0.99Fe_0.01)_1 ? δO solid solution might correspond to a migration enthalpy of O ions through thermally formed defects. It is proposed that a possible dominant electrical conduction mechanism in ferropericlase under the lower mantle conditions, at least in the higher temperature region, is super ionic conduction.     

Theoretical investigation of the inversion parameter in Co3 − sAlsO4 (s = 0–3) spinel structures

The structural, energetic, and thermodynamic properties of the Co_3 ? sAl_sO₄ (s = 0, 1, 2, and 3) crystal family are studied using periodic DFT calculations. We provide a quantitative discussion of the cation distribution effect on the cell parameter, the oxygen Wyckoff position, the interatomic distances and the energies of the structures. It is demonstrated that the low cobalt containing CoAl₂O₄ spinel is the most stable structure of the Co_3 ? sAl_sO₄ (s = 0, 1, 2, and 3) crystal family.     

Hole superconductivity in Nd2 − zCezCuO4

The reclassification of Nd_2 − zCe_zCuO₄from an electron superconductor to a hole superconductor is suggested by simple valence and electrostatics arguments: In Nd_2 − zCe_zCuO₄, isolated Ce substituting for Nd is not an electron donor; the proposed actual dopant is a defect-complex of Ce and interstitial oxygen which provides holes, making Nd_2 − zCe_zCuO₄a hole superconductor.     

The electronic structures of commensurate Ru(0001)–(3 × 3)–4Kr and Ru(0001)–(5 × 5)–Kr using density functional theory

We have calculated the minimum energies for each of three positionings of the adatom unit cells for Ru(0001)–(3 × 3)–4Kr (high Kr coverage) and for Ru(0001)–(5 × 5)–Kr (low Kr coverage). The differences between the results for the low and high-coverage cases may clarify puzzles posed by the experimental results of Narloch and Menzel. The low-coverage solution converges to a structure having Kr in the top site at a height of 3.09 Å above the substrate with the adsorption energy 185 meV. In the high-coverage case, adatom unit cells with a corner Kr at top, fcc hollow, and hcp hollow locations are found to have nearly the same adsorption energy of 175 meV. The height of the corner atom above the substrate is found to be 3.35, 3.54, and 3.50 Å for the top, fcc hollow and hcp hollow sites, respectively. These results are explained by demonstrating that there is an enhancement of the substrate electronic density of states at krypton orbital energies in the low-coverage case.     

Martensitic Transformation,Magnetotransport Properties,and Magnetocaloric Effect in Ni47 – xMn42 + xIn11 Alloys (0 ≤ x ≤ 2)

Physics of the Solid State - The structure, electrical and magnetic properties of Ni47 – xMn42 + xIn11 (0 ≤ x ≤ 2) alloys upon changing the...     

Synthesis and Luminescent Properties of Bismuth Titanates Bi1.6HoxTi2O7 – δ and Bi1.6Mg0.1HoxTi2O7 – δ

Physics of the Solid State - Pyrochlores Bi1.6HoxTi2O7 – δ and Bi1.6Mg0.1Ho xTi2O7 – δ, where x = 0, 0.01, 0.05, and 0.1, and...     

Band Diagram of the InAs1 – ySby/InAsSbP Heterojunction in the Composition Range y < 0.2

Physics of the Solid State - The n+-InAs/n0-InAs1&nbsp;–&nbsp;ySby/p-InAsSbP heterostructures with asymmetric band offsets at the heteroboundaries of the active region have been grown...     

H adsorption at Ag/Si interfaces in epitaxially grown Ag(1 1 1) films on Si(1 1 1)7 × 7 substrates

The interaction of atomic H with Ag(1 1 1)/Si(1 1 1)7 × 7 surfaces was studied by thermal desorption (TD) spectroscopy and scanning tunneling microscopy (STM) at room temperature. TD spectroscopy revealed an intense peak from mono H–Si bonds, even though the Si surface was covered by the Ag atoms. This peak was not observed from Ag-coated SiO₂/Si substrates. STM observation showed no clear change of the Ag surface morphology resulting from H exposure. All these results indicate that the atomic H adsorbs at neither the Ag surfaces nor Ag bulk sites, but at the Ag/Si interface by diffusing through the Ag film.     

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.     

Elastic Constants and Related Mechanical Properties of YxIn1 – xN Ternary System

Physics of the Solid State - Using a pseudo-potential approach within the virtual crystal approximation, the elastic properties of YxIn1&nbsp;–&nbsp;xN semiconductor ternary alloys in...