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) CaMnO3_3 surface

The Mn-terminated (001) surface of the stable anti-ferromagnetic insulating phase of cubic perovskite CaMnO$_3$ 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 $e_g$ states due to $d_{xy}$ $\to$ $d_{z^2}$ charge redistribution. These results, based on local spin density theory, give a double exchange like coupling that is driven by $e_g$ 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$_c$ observed in any elemental metal (Li with T$_c$ ~ 20 K at pressure P ~ 40 GPa) is shown to arise from critical (formally divergent) electron-phonon coupling to the transverse T$_1$ phonon branch along intersections of Kohn anomaly surfaces with the Fermi surface. First principles linear response calculations of the phonon spectrum and spectral function $\alpha^2 F(\omega)$ 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