Jeremy K. Burdett、Peter Haaland、Timothy J. McLarnan1981-12-15The Journal of Chemical Physics
Band structure calculations based on the extended Hückel method order energetically the 36 arsenic-like structures having the NaCl size unit cell in a way which is compatible with the observed crystal structures. Black phosphorus is the most stable of the 36, and the arsenic layer type is number seven. Energy differen…
Crystal Structures and PropertiesThermal and Kinetic AnalysisThermodynamic and Structural Properties of Metals and Alloys
Michèle Gupta、J.P. Burger1981-12-15Physical review. B, Condensed matter
We present an evaluation of the electron-phonon coupling parameter $\ensuremath{\lambda}$, using the McMillan formalism, for several classes of stoichiometric mono- and dihydrides with a metallic underlying fcc structure. We calculate the electronic term $\ensuremath{\eta}$ and use experimental estimates for the phono…
Advanced Chemical Physics StudiesHigh-pressure geophysics and materialsHydrogen Storage and Materials
Sakae Zembutsu1981-12-15Applied Physics Letters
The Ag-deposited Se80Ge20 (at. %) amorphous films are found to show a large chemical shift (∼1.2 eV) in the Se 3d level toward lower binding energies and to form a Ag2Se phase on the surface region. The chemical shift of the Se 3d level by Ag photodoping becomes large with increasing UV exposure (15 mW/cm2) and is sat…
Glass properties and applicationsChalcogenide Semiconductor Thin FilmsPhase-change materials and chalcogenides
M. Albert Vannice、C.C. Twu1981-12-15The Journal of Chemical Physics
For the first time, infrared integrated absorption intensities and extinction coefficients have been determined for both the linearly adsorbed (high frequency-HF) and the bridged-bonded (low frequency-LF) forms of CO on Pt. Platinum dispersed on η-Al2O3, SiO2, SiO2–Al2O3, and TiO2 was characterized by both hydrogen an…
Luminescence Properties of Advanced MaterialsCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions
Yūichi Tazuke、Hidekazu Tanaka、Katsunori Iio 等 4 位作者1981-12-15Journal of the Physical Society of Japan
Susceptibilities of single crystals of CsCuCl 3 are measured in 4.2 K< T <500 K for H ⊥ c and H // c . Behaviors characteristic to a one-dimensional Heisenberg ferromagnet with weak interchain interactions are observed. The behaviors are analyzed by the high temperature expansion approximation, and intrachain and inte…
Perovskite Materials and ApplicationsAdvanced Condensed Matter PhysicsSolid-state spectroscopy and crystallography
Jeremy K. Burdett、Timothy J. McLarnan1981-12-15The Journal of Chemical Physics
The structures of arsenic and black phosphorus can be regarded as distortions of the simple cubic or NaCl structure. The presence of more than four electrons per site results in the breaking of three of the six linkages around each atom in the NaCl structure. A generalization of Pólya’s enumeration theorem is proven w…
Machine Learning in Materials ScienceX-ray Diffraction in CrystallographyHistory and advancements in chemistry
S. J. Lalama、Kenneth D. Singer、A. F. Garito 等 4 位作者1981-12-15Applied Physics Letters
A new class of organic quinoid systems possessing intrinsically large, nonlinear second-order optical susceptibilities has been developed based on theoretical calculations and dc-induced second-harmonic generation measurements of the molecular second-order optical susceptibilities β. For one example, 2-(4-dicyanomethy…
Porphyrin and Phthalocyanine ChemistryNonlinear Optical Materials ResearchSpectroscopy and Quantum Chemical Studies
R. A. Pollak、D. E. East̀man、F. J. Himpsel 等 5 位作者1981-12-15Physical review. B, Condensed matter
A metal-to-insulator transition is observed using angle-resolved photoemission at the $1{T}_{2}\ensuremath{\rightarrow}1{T}_{3}$ phase transition of Ta${\mathrm{S}}_{2}$ at $T\ensuremath{\sim}200$ K: a 0.125-eV band gap, $d$ subbands, and Fermi-surface modifications occur. High-resolution (0.15-eV) Ta $4f$ core-level…
Magnetic and transport properties of perovskites and related materialsIron-based superconductors researchElectronic and Structural Properties of Oxides
V. K. Sharma、Alfons Baiker1981-12-15The Journal of Chemical Physics
A silica supported Ni catalyst has been investigated by electron magnetic resonance between 293 and 4.2 K. A relatively narrow absorption signal with linewidth ΔHpp?400 Oe is observed at temperatures ?150 K as a result of motional averaging of the magnetocrystalline anistropy field Ha of the Ni particles resulting fro…
Magnetic properties of thin filmsMagnetic Properties and ApplicationsCharacterization and Applications of Magnetic Nanoparticles
Klaus Hermann、Paul S. Bagus、C. R. Brundle 等 4 位作者1981-12-15Physical review. B, Condensed matter
Hartree-Fock calculations on a linear cluster, Ni${\mathrm{N}}_{2}$, have been performed. Self-consistent-field calculations on the ground and hole states of the cluster and the free ${\mathrm{N}}_{2}$ molecule have been used to determine the shifts in valence ionization potentials (IP) of ${\mathrm{N}}_{2}$ when it i…
Catalytic Processes in Materials ScienceElectron and X-Ray Spectroscopy TechniquesIon-surface interactions and analysis
F. J. Himpsel、D. E. East̀man、P. Heimann 等 4 位作者1981-12-15Physical review. B, Condensed matter
With the use of angle-resolved photoemission with synchrotron radiation, surface states on the (2\ifmmode\times\else\texttimes\fi{}1)/(2\ifmmode\times\else\texttimes\fi{}2) reconstructed diamond (111) surface are characterized. These states cover an energy range of about 2 eV and exhibit maximum emission intensity at…
Graphene research and applicationsDiamond and Carbon-based Materials ResearchElectronic and Structural Properties of Oxides
C. R. Brundle、Paul S. Bagus、D. Menzel 等 4 位作者1981-12-15Physical review. B, Condensed matter
Valence-level and core-level photoemission results are presented for ${\mathrm{N}}_{2}$ molecularly adsorbed on a Ni(100) surface at 77 K. Comparison is made to the Ni(100)/CO system. Differences are interpreted in terms of differences in chemisorption bonding. The data are in agreement with theoretical calculations (…
Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceElectron and X-Ray Spectroscopy Techniques
Charles S. Coffey1981-12-15Physical review. B, Condensed matter
The presence of a moving dislocation represents a significant perturbation of a crystalline lattice. Here we present a quantum-mechanical account of the phonon field created by a moving edge dislocation. It is shown that the phonon energy is locally concentrated about the crystalline slip planes, indicating the existe…
High-pressure geophysics and materialsThermal properties of materialsQuantum, superfluid, helium dynamics
И.С. Иванов、J. Pollmann1981-12-15Physical review. B, Condensed matter
We report the results of a detailed theoretical investigation of electronic properties of unrelaxed and relaxed ZnO surfaces. The surface electronic structure is evaluated using the scattering theoretical method on the basis of an accurately fit empirical tight-binding Hamiltonian for bulk ZnO. Surface band structures…
ZnO doping and propertiesGa2O3 and related materialsElectronic and Structural Properties of Oxides
B. Jusserand、J. Sapriel1981-12-15Physical review. B, Condensed matter
Raman scattering measurements between 20 and 450 K are reported in ${\mathrm{Ga}}_{1\ensuremath{-}x}{\mathrm{Al}}_{x}\mathrm{As}$ single crystals for the range $0\ensuremath{\le}x\ensuremath{\le}1$. Peak-frequency and linewidth variations versus temperature and composition of the first-order modes are studied in the l…
Luminescence Properties of Advanced MaterialsGlass properties and applicationsPhotorefractive and Nonlinear Optics
H. Engelhardt、Barclay Kamb1981-12-15The Journal of Chemical Physics
Ice IV, made metastably at pressures of about 4 to 5.5 kb, has a structure based on a rhombohedral unit cell of dimensions aR = 760±1 pm, α = 70.1±0.2°, space group R3̄c, as observed by x-ray diffraction at 1 atm, 110 K. The cell contains 12 water molecules of type 1, in general position, plus 4 of type 2, with O(2) i…
Material Dynamics and Propertiesnanoparticles nucleation surface interactions
Ashok K. Goel、G. Skorinko、Fred H. Pollak1981-12-15Physical review. B, Condensed matter
We have measured the near-normal incidence reflectivity of single-crystal rutile Ru${\mathrm{O}}_{2}$ and Ir${\mathrm{O}}_{2}$ for $\stackrel{\ensuremath{\rightarrow}}{\mathrm{E}}\ensuremath{\parallel}c$ axis and $\stackrel{\ensuremath{\rightarrow}}{\mathrm{E}}\ensuremath{\perp}c$ axis at room temperature in the photo…
Transition Metal Oxide NanomaterialsCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides
David J. Srolovitz、T. Egami、V. Vítek1981-12-15Physical review. B, Condensed matter
A method of interpreting radial distribution functions (RDF) of amorphous metals is proposed in which the role of the local atomic structure is emphasized. It is found that the width and height of the peaks of the RDF are related to the second moment of the atomic-level hydrostatic stress distribution $〈{p}^{2}〉$. The…
Material Dynamics and PropertiesGlass properties and applicationsMetallic Glasses and Amorphous Alloys
Setsuo Ichimaru、Kenichi Utsumi1981-12-15OpenAlex
We propose a fitting formula for the dielectric screening function of the degenerate electron liquids at metallic and lower densities which accurately reproduces the recent Monte Carlo results as well as those of the microscopic calculations and which satisfies the self-consistency conditions in the compressibility su…
Inorganic Fluorides and Related CompoundsThermal Expansion and Ionic ConductivityMagnesium Oxide Properties and Applications
L. Rothhardt、J. Maštovský、J. Blaha1981-12-14Journal of Physics D Applied Physics
The dielectric strength (i.e. breakdown voltage U c of a 2 mm gap) of pure SF 6 and its relaxation properties at p=100 kPa were measured for T=500-1800K. Two temperature regions with approximately constant values of U c T were found.
High voltage insulation and dielectric phenomenaPower Transformer Diagnostics and InsulationCopper Interconnects and Reliability