284 research outputs found
Analytical approach to the quantum-phase transition in the one-dimensional spinless Holstein model
We study the one-dimensional Holstein model of spinless fermions interacting
with dispersion-less phonons by using a recently developed projector-based
renormalization method (PRM). At half-filling the system shows a
metal-insulator transition to a Peierls distorted state at a critical
electron-phonon coupling where both phases are described within the same
theoretical framework. The transition is accompanied by a phonon softening at
the Brillouin zone boundary and a gap in the electronic spectrum. For different
filling, the phonon softening appears away from the Brillouin zone boundary and
thus reflects a different type of broken symmetry state.Comment: 8 pages, 4 figures included; v2: completely revised and extended; v3:
minor changes, final version, to be published in Eur. Phys. J.
Magnetic Ordering and Superconductivity in the REIrGe (RE = Y, La-Tm, Lu) System
We find that the compounds for RE = Y, La-Dy, crystallize in the tetragonal
Ibam (UCoSi type) structure whereas the compounds for RE = Er-Lu,
crystallize in a new orthorhombic structure with a space group Pmmn. Samples of
HoIrGe were always found to be multiphase. The compounds for RE = Y
to Dy which adopt the Ibam type structure show a metallic resistivity whereas
the compounds with RE = Er, Tm and Lu show an anomalous behavior in the
resistivity with a semiconducting increase in as we go down in
temperature from 300K. Interestingly we had earlier found a positive
temperature coefficient of resistivity for the Yb sample in the same
temperature range. We will compare this behavior with similar observations in
the compounds RERuGe and REBiPt. LaIrGe and
YIrGe show bulk superconductivity below 1.8K and 2.5K respectively.
Our results confirm that CeIrGe shows a Kondo lattice behavior and
undergoes antiferromagnetic ordering below 8.5K. Most of the other compounds
containing magnetic rare-earth elements undergo a single antiferromagnetic
transition at low temperatures (T12K) while GdIrGe,
DyIrGe and NdIrGe show multiple transitions. The
T's for most of the compounds roughly scale with the de Gennes factor.
which suggests that the chief mechanism of interaction leading to the magnetic
ordering of the magnetic moments may be the RKKY interaction.Comment: 25 pages, 16 figure
Electronic structure, magnetism and superconductivity of MgCNi
The electronic structure of the newly discovered superconducting perovskite
MgCNi is calculated using the LMTO and KKR methods. The states near the
Fermi energy are found to be dominated by Ni-d. The Stoner factor is low while
the electron-phonon coupling constant is estimated to be about 0.7, which
suggests that the material is a conventional type of superconductor where T
is not affected by magnetic interactions. However, the proximity of the Fermi
energy to a large peak in the density of states in conjunction with the
reported non-stoichiometry of the compound, has consequences for the stability
of the results.Comment: 3 pages, 4 figure
Nesting properties and anomalous band effect in MgB2
First principle FLAPW band calculations of the new superconductor MgB2 were
performed and the polarization function P12(Q) between the two p-bands mainly
formed of boron pz-orbital was calculated. We found that P12(Q) is
substantially enhanced around Q=(0,0,p/c), which supports the two-band
mechanism of superconductivity for MgB2. P12(Q) peaks at Qz ~ 0.3(2p/c) and Qz
\~ 0.5(2p/c). These two peaks are related to the nesting of these Fermi
surfaces, but significantly deviates from the position expected from the
simplest tight-binding bands for the p-bands. From the calculations for
different lattice parameters, we have found significant dependences on the
isotopic species of B and on the pressure effect of the polarization function
in accordance with the respective changes of Tc in the above-mentioned
framework.Comment: 15 pages, 7 graphs. to be published in J. Phys. Soc. Jpn. 70_, No.
Nonlinear effects in E Jahn-Teller model: Variational approach with excited phonon states and mode correlations
Interplay of nonlinear and quantum effects in the ground state of the
E Jahn-Teller model was investigated by the {\it variational
approach and exact numerical simulations}. They result in the recognition of
(i) importance of the admixture of {\it the first excited state of the
displaced harmonic oscillator} of the symmetric phonon mode in the ground state
of the system in the selftrapping-dominated regime; (ii) existence of {\it the
region of localized -undisplaced oscillator states} in the
tunneling-dominated regime. The effect (i) occurs owing to significant decrease
of the ground state energy on account of the overlapping contribution of the
symmetric phonon mode between the states of the same parity. This contribution
considerably improves variational results especially in the
selftrapping-dominated regime. Close to the Ee limit, the nonlinear
effects of {\it two-mode correlations} turn to be effective due to the
rotational symmetry of this case. In the tunneling-dominated regime the phonon
wave functions behave like the strongly localized harmonic oscillator ground
state and the effect (i) looses its significance.Comment: 28 pages,6 figure
A critical assessment of the Self-Interaction Corrected Local Density Functional method and its algorithmic implementation
We calculate the electronic structure of several atoms and small molecules by
direct minimization of the Self-Interaction Corrected Local Density
Approximation (SIC-LDA) functional. To do this we first derive an expression
for the gradient of this functional under the constraint that the orbitals be
orthogonal and show that previously given expressions do not correctly
incorporate this constraint. In our atomic calculations the SIC-LDA yields
total energies, ionization energies and charge densities that are superior to
results obtained with the Local Density Approximation (LDA). However, for
molecules SIC-LDA gives bond lengths and reaction energies that are inferior to
those obtained from LDA. The nonlocal BLYP functional, which we include as a
representative GGA functional, outperforms both LDA and SIC-LDA for all ground
state properties we considered.Comment: 14 pages, 5 figure
Climatic controls on the survival and loss of ancient types of barley on North Atlantic Islands
This study was partly funded by a Scottish Government Rural and Environment Science and Analytical Service award (PM, JW and TSG). The Scottish Northern Cairngorms reconstruction was finalised through the project NERC project ‘SCOT2K: Reconstructing 2000 years of Scottish climate from tree rings (NE/ K003097/1)’ while the new central and northwest Scottish data were developed as part of a NERC Iapetus PhD project.For ancient types of barley at sites in the Scottish Isles, Faroes, and Iceland, we calculated minimum temperature requirements for grain production (grain production threshold, GPT) as accumulated degree days over the cropping season. Site suitability for barley from AD 1200 to 2000 was investigated by comparing these thresholds with reconstructions of annual cropping season degree days (CSDD) using temperature and tree-ring data. In Iceland, between AD 1200 and 1500, reconstructed CSDD were more favorable in the southwest (Reykjavik), with fewer years below the GPT, than in the North, East and West, but there were two periods (1340–1389 and 1426–1475) with low average CSDD and several years below the GPT which possibly influenced the abandonment of barley cultivation around this time. Reconstructed CSDD for the Faroes (Tórshavn) had only one year below the GPT, but 15 periods of four or more consecutive years with low CSDD which would have challenged barley cultivation, especially in the thirteenth century. Reconstructed CSDD were highest for the Scottish Isles, allowing a more prominent role of barley in the farming system and economy. Nevertheless, years with poor harvests or famines were common and about half were associated with low CSDD, resulting in a significant temperature link but also demonstrating the important contribution of other factors. Despite frequent unfavorable years in both the Faroes and Scottish Isles, resilient production systems, well-adapted barley strains and socio-economic factors allowed barley cultivation to continue, and some ancient types to survive to the present day.Publisher PDFPeer reviewe
Nonadiabatic effects in a generalized Jahn-Teller lattice model: heavy and light polarons, pairing and metal-insulator transition
The ground state polaron potential of 1D lattice of two-level molecules with
spinless electrons and two Einstein phonon modes with quantum phonon-assisted
transitions between the levels is found anharmonic in phonon displacements. The
potential shows a crossover from two nonequivalent broad minima to a single
narrow minimum corresponding to the level positions in the ground state.
Generalized variational approach implies prominent nonadiabatic effects:(i) In
the limit of the symmetric E-e Jahn- Teller situation they cause transition
between the regime of the predominantly one-level "heavy" polaron and a "light"
polaron oscillating between the levels due to phonon assistance with almost
vanishing polaron displacement. It implies enhancement of the electron transfer
due to decrease of the "heavy" polaron mass (undressing) at the point of the
transition. Pairing of "light" polarons due to exchange of virtual phonons
occurs. Continuous transition to new energy ground state close to the
transition from "heavy" polaron phase to "light" (bi)polaron phase occurs. In
the "heavy" phase, there occurs anomalous (anharmonic) enhancements of quantum
fluctuations of the phonon coordinate, momentum and their product as functions
of the effective coupling. (ii) Dependence of the polaron mass on the optical
phonon frequency appears.(iii) Rabi oscillations significantly enhance quantum
shift of the insulator-metal transition line to higher values of the critical
effective e-ph coupling supporting so the metallic phase. In the E-e JT case,
insulator-metal transition coincide with the transition between the "heavy" and
the "light" (bi)polaron phase at certain (strong) effective e-ph interaction.Comment: Paper in LaTex format (file jtseptx.tex) and 9 GIF-figures
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A complex storm system in Saturn’s north polar atmosphere in 2018
Producción CientíficaSaturn’s convective storms usually fall in two categories. One consists of mid-sized storms ∼2,000 km wide, appearing as irregular bright cloud systems that evolve rapidly, on scales of a few days. The other includes the Great White Spots, planetary-scale giant storms ten times larger than the mid-sized ones, which disturb a full latitude band, enduring several months, and have been observed only seven times since 1876. Here we report a new intermediate type, observed in 2018 in the north polar region. Four large storms with east–west lengths ∼4,000–8,000 km (the first one lasting longer than 200 days) formed sequentially in close latitudes, experiencing mutual encounters and leading to zonal disturbances affecting a full latitude band ∼8,000 km wide, during at least eight months. Dynamical simulations indicate that each storm required energies around ten times larger than mid-sized storms but ∼100 times smaller than those necessary for a Great White Spot. This event occurred at about the same latitude and season as the Great White Spot in 1960, in close correspondence with the cycle of approximately 60 years hypothesized for equatorial Great White Spots.Ministerio de Economía, Industria y Competitividad - Fondo Europeo de Desarrollo Regional (project AYA2015-65041-P)Gobierno Vasco (project IT-366-19
Potassium Dependent Regulation of Astrocyte Water Permeability Is Mediated by cAMP Signaling
Astrocytes express potassium and water channels to support dynamic regulation of potassium homeostasis. Potassium kinetics can be modulated by aquaporin-4 (AQP4), the essential water channel for astrocyte water permeability regulation. We investigated whether extracellular potassium ([K+]o) can regulate astrocyte water permeability and the mechanisms of such an effect. Studies were performed on rat primary astrocytes and a rat astrocyte cell line transfected with AQP4. We found that 10mM [K+]o caused an immediate, more than 40%, increase in astrocyte water permeability which was sustained in 5min. The water channel AQP4 was a target for this regulation. Potassium induced a significant increase in intracellular cAMP as measured with a FRET based method and with enzyme immunoassay. We found that protein kinase A (PKA) could phosphorylate AQP4 in vitro. Further elevation of [K+]o to 35mM induced a global intracellular calcium response and a transient water permeability increase that was abolished in 5min. When inwardly rectifying potassium (Kir)-channels were blocked, 10mM [K+]o also induced a calcium increase and the water permeability increase no longer persisted. In conclusion, we find that elevation of extracellular potassium regulates AQP4 and astrocyte water permeability via intracellular signaling involving cAMP. A prolonged increase of astrocyte water permeability is Kir-channel dependent and this response can be impeded by intracellular calcium signaling. Our results support the concept of coupling between AQP4 and potassium handling in astrocytes
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