3,972 research outputs found
Pressure-Induced Simultaneous Metal-Insulator and Structural-Phase Transitions in LiH: a Quasiparticle Study
A pressure-induced simultaneous metal-insulator transition (MIT) and
structural-phase transformation in lithium hydride with about 1% volume
collapse has been predicted by means of the local density approximation (LDA)
in conjunction with an all-electron GW approximation method. The LDA wrongly
predicts that the MIT occurs before the structural phase transition. As a
byproduct, it is shown that only the use of the generalized-gradient
approximation together with the zero-point vibration produces an equilibrium
lattice parameter, bulk modulus, and an equation of state that are in excellent
agreement with experimental results.Comment: 7 pages, 4 figures, submitted to Europhysics Letter
Suprathermal plasma observed on STS-3 Mission by plasma diagnostics package
Artificially produced electron beams were used extensively during the past decade as a means of probing the magnetosphere, and more recently as a means of actively controlling spacecraft potential. Experimentation in these areas has proven valuable, yet at times confusing, due to the interaction of the electron beam with the ambient plasma. The OSS-1/STS-3 Mission in March 1982 provided a unique opportunity to study beam-plasma interactions at an altitude of 240 km. On board for this mission was a Fast Pulse Electron Generator (FPEG). Measurements made by the Plasma Diagnostics Package (PDP) while extended on the Orbiter RMS show modifications of the ion and electron energy distributions during electron beam injection. Observations made by charged particle detectors are discussed and related to measurements of Orbiter potential. Several of the PDP instruments, the joint PDP/FPEG experiment, and observations made during electron beam injection are described
Electronic Structure of ZnCNi3
According to a recent report by Park et al, ZnCNi3 is isostructural and
isovalent to the superconducting (Tc = 8 K) anti-perovskite, MgCNi3, but shows
no indication of a superconducting transition down to 2K. A comparison of
calculated electronic structures shows that the main features of MgCNi3,
particularly the van Hove singularity near the Fermi energy, are preserved in
ZnCNi3. Thus the reported lack of superconductivity in ZnCNi3 is not
explainable in terms of Tc being driven to a very low value by a small Fermi
level density of states. We propose that the lack of superconductivity, the
small value of the linear specific heat coefficient, gamma, and the discrepancy
between theoretical and experimental lattice constants can all be explained if
the material is assumed to be a C-deficient alpha-ZnCNi3 similar to the
analogous non-superconducting phase of MgCNi3
Magnetic reconstruction at (001) CaMnO surface
The Mn-terminated (001) surface of the stable anti-ferromagnetic insulating
phase of cubic perovskite CaMnO is found to undergo a magnetic
reconstruction consisting on a spin-flip process at surface: each Mn spin at
the surface flips to pair with that of Mn in the subsurface layer. In spite of
very little Mn-O charge transfer at surface, the surface behavior is driven by
the states due to charge redistribution. These
results, based on local spin density theory, give a double exchange like
coupling that is driven by character, not additional charge, and may have
relevance to CMR materials.Comment: 4 pages, 5 figures reference added Fig. 3 modified. Caption of Fig. 5
modifie
Laboratory measurements and theoretical calculations of O_2 A band electric quadrupole transitions
Frequency-stabilized cavity ring-down spectroscopy was utilized to measure electric quadrupole transitions within the ^(16)O_2 A band, b^1Σ^+_g ← X^3Σ^-_g(0,0). We report quantitative measurements (relative uncertainties in intensity measurements from 4.4% to 11%) of nine ultraweak transitions in the ^NO, ^PO, ^RS, and ^TS branches with line intensities ranging from 3×10^(−30) to 2×10^(−29) cm molec.^(−1). A thorough discussion of relevant noise sources and uncertainties in this experiment and other cw-cavity ring-down spectrometers is given. For short-term averaging (t<100 s), we estimate a noise-equivalent absorption of 2.5×10^(−10) cm^(−1) Hz^(−1/2). The detection limit was reduced further by co-adding up to 100 spectra to yield a minimum detectable absorption coefficient equal to 1.8×10^(−11) cm^(−1), corresponding to a line intensity of ~2.5×10^(−31) cm molec.^(−1). We discuss calculations of electric quadrupole line positions based on a simultaneous fit of the ground and upper electronic state energies which have uncertainties <3 MHz, and we present calculations of electric quadrupole matrix elements and line intensities. The electric quadrupole line intensity calculations and measurements agreed on average to 5%, which is comparable to our average experimental uncertainty. The calculated electric quadrupole band intensity was 1.8(1)×10^(−27) cm molec.−1 which is equal to only ~8×10^(−6) of the magnetic dipole band intensity
Prediction of Ferromagnetic Ground State of NaCl-type FeN
Ab-initio results for structural and electronic properties of NaCl-type FeN
are presented in a framework of plane-wave and ultrasoft pseudopotentials.
Competition among different magnetic ordering is examined. We find the
ferromagnetic phase stable overall. Stabilization over the unpolarized phase is
obtained by splitting one flat t_2g-type band crossing the Fermi energy. A
comparison with CrN is considered. We find large differences in the properties
of the two systems that can be addressed to the smaller ionicity and
magnetization of FeN.Comment: 5 pages, 4 figures, twocolumn latex style Sentence changed in Section
III line 1
Superconductivity and Lattice Instability in Compressed Lithium from Fermi Surface Hot Spots
The highest superconducting temperature T observed in any elemental metal
(Li with T ~ 20 K at pressure P ~ 40 GPa) is shown to arise from critical
(formally divergent) electron-phonon coupling to the transverse T phonon
branch along intersections of Kohn anomaly surfaces with the Fermi surface.
First principles linear response calculations of the phonon spectrum and
spectral function reveal (harmonic) instability already at
25 GPa. Our results imply that the fcc phase is anharmonically stabilized in
the 25-38 GPa range.Comment: 4 pages, 3 embedded figure
Double exchange-driven spin pairing at the (001) surface of manganites
The (001) surface of La_{1-x}Ca_xMnO_3 system in various magnetic orderings
is studied by first principle calculations. A general occurrence is that z^2
dangling bond charge -- which is ``invisible'' in the formal valence picture --
is promoted to the bulk gap/Fermi level region. This drives a
double-exchange-like process that serves to align the surface Mn spin with its
subsurface neighbor, regardless of the bulk magnetic order. For heavy doping,
the locally ``ferromagnetic'' coupling is very strong and the moment enhanced
by as much as 30% over the bulk value.Comment: 6 pages, 4 figure
Effect of Hormodin A, a growth substance, on the rooting of cuttings
Florists, nurserymen and gardeners are deeply interested in recent discoveries that certain chemical compounds, when absorbed into the appropriate living plant tissues, induce or stimulate the initiation of roots. Depending on species, point of application of the chemical and various environmental conditions, roots appear on stems or leaves at points where roots do not ordinarily arise. The chemicals used have been variously designated by different investigators as growth substances (6), hormones (3), phytohormones (28) and auxins (28). When applied to the rootage of cuttings, these substances may have a wide practical use.
Some of the most effective growth substances are offered to the trade under proprietary names. This bulletin deals with a series of experiments designed to test, under Iowa conditions, the efficacy of Hormodin A, a widely distributed trade product known to contain an effective growth-promoting chemical, indolebutyric acid, for the rooting of cuttings of many species and varieties of horticultural plants. The project was sponsored by the Boyce Thompson Institute for Plant Research, located at Yonkers, N. Y., under a cooperative agreement with the Iowa Agricultural Experiment Station. The study covered a period of 2 years and included tests with approximately 50 species and varieties. The immediate objectives of the research were: 1. To discover the most effective concentration of Hormodin A for the rooting of each species or variety; ~. to determine the effect of the treatment on cuttings taken at different stages of maturity; 3. to determine the reaction of cuttings taken at different seasons of the year to the treatments
Static versus dynamic fluctuations in the one-dimensional extended Hubbard model
The extended Hubbard Hamiltonian is a widely accepted model for uncovering
the effects of strong correlations on the phase diagram of low-dimensional
systems, and a variety of theoretical techniques have been applied to it. In
this paper the world-line quantum Monte Carlo method is used to study spin,
charge, and bond order correlations of the one-dimensional extended Hubbard
model in the presence of coupling to the lattice. A static alternating lattice
distortion (the ionic Hubbard model) leads to enhanced charge density wave
correlations at the expense of antiferromagnetic order. When the lattice
degrees of freedom are dynamic (the Hubbard-Holstein model), we show that a
similar effect occurs even though the charge asymmetry must arise
spontaneously. Although the evolution of the total energy with lattice coupling
is smooth, the individual components exhibit sharp crossovers at the phase
boundaries. Finally, we observe a tendency for bond order in the region between
the charge and spin density wave phases.Comment: Corrected typos. (10 pages, 9 figures
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