1,578 research outputs found

    Superconductivity in Boron under pressure - why are the measured Tc_c's so low?

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    Using the full potential linear muffin-tin orbitals (FP-LMTO) method we examine the pressure-dependence of superconductivity in the two metallic phases of Boron: bct and fcc. Linear response calculations are carried out to examine the phonon frequencies and electron-phonon coupling for various lattice parameters, and superconducting transition temperatures are obtained from the Eliashberg equation. In both bct and fcc phases the superconducting transition temperature Tc_c is found to decrease with increasing pressure, due to stiffening of phonons with an accompanying decrease in electron-phonon coupling. This is in contrast to a recent report, where Tc_c is found to increase with pressure. Even more drastic is the difference between the measured Tc_c, in the range 4-11 K, and the calculated values for both bct and fcc phases, in the range 60-100 K. The calculation reveals that the transition from the fcc to bct phase, as a result of increasing volume or decreasing pressure, is caused by the softening of the X-point transverse phonons. This phonon softening also causes large electron-phonon coupling for high volumes in the fcc phase, resulting in coupling constants in excess of 2.5 and Tc_c nearing 100 K. We discuss possible causes as to why the experiment might have revealed Tc_c's much lower than what is suggested by the present study. The main assertion of this paper is that the possibility of high Tc_c, in excess of 50 K, in high pressure pure metallic phases of boron cannot be ruled out, thus substantiating the need for further experimental investigations of the superconducting properties of high pressure pure phases of boron.Comment: 16 pages, 8 figures, 1 Tabl

    Combined density-functional and dynamical cluster quantum Monte Carlo calculations for three-band Hubbard models for hole-doped cuprate superconductors

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    Using a combined local density functional theory (LDA-DFT) and quantum Monte Carlo (QMC) dynamic cluster approximation approach, the parameter dependence of the superconducting transition temperature Tc of several single-layer hole-doped cuprate superconductors with experimentally very different Tcmax is investigated. The parameters of two different three-band Hubbard models are obtained using the LDA and the downfolding Nth-order muffin-tin orbital technique with N=0 and 1 respectively. QMC calculations on 4-site clusters show that the d-wave transition temperature Tc depends sensitively on the parameters. While the N=1 MTO basis set which reproduces all three pdσpd\sigma bands leads to a d-wave transition, the N=0 set which merely reproduces the LDA Fermi surface and velocities does not

    Electromagnetic force density in dissipative isotropic media

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    We derive an expression for the macroscopic force density that a narrow-band electromagnetic field imposes on a dissipative isotropic medium. The result is obtained by averaging the microscopic form for Lorentz force density. The derived expression allows us to calculate realistic electromagnetic forces in a wide range of materials that are described by complex-valued electric permittivity and magnetic permeability. The three-dimensional energy-momentum tensor in our expression reduces for lossless media to the so-called Helmholtz tensor that has not been contradicted in any experiment so far. The momentum density of the field does not coincide with any well-known expression, but for non-magnetic materials it matches the Abraham expression

    Geometric, electronic, and magnetic structure of Co2_2FeSi: Curie temperature and magnetic moment measurements and calculations

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    In this work a simple concept was used for a systematic search for new materials with high spin polarization. It is based on two semi-empirical models. Firstly, the Slater-Pauling rule was used for estimation of the magnetic moment. This model is well supported by electronic structure calculations. The second model was found particularly for Co2_2 based Heusler compounds when comparing their magnetic properties. It turned out that these compounds exhibit seemingly a linear dependence of the Curie temperature as function of the magnetic moment. Stimulated by these models, Co2_2FeSi was revisited. The compound was investigated in detail concerning its geometrical and magnetic structure by means of X-ray diffraction, X-ray absorption and M\"o\ss bauer spectroscopies as well as high and low temperature magnetometry. The measurements revealed that it is, currently, the material with the highest magnetic moment (6μB6\mu_B) and Curie-temperature (1100K) in the classes of Heusler compounds as well as half-metallic ferromagnets. The experimental findings are supported by detailed electronic structure calculations

    A Century of Change towards Prevention and Minimal Intervention in Cariology

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    Publisher Copyright: © International & American Associations for Dental Research 2019. Copyright: Copyright 2019 Elsevier B.V., All rights reserved.Better understanding of dental caries and other oral conditions has guided new strategies to prevent disease and manage its consequences at individual and public health levels. This article discusses advances in prevention and minimal intervention dentistry over the last century by focusing on some milestones within scientific, clinical, and public health arenas, mainly in cariology but also beyond, highlighting current understanding and evidence with future prospects. Dentistry was initially established as a surgical specialty. Dental caries (similar to periodontitis) was considered to be an infectious disease 100 years ago. Its ubiquitous presence and rampant nature—coupled with limited diagnostic tools and therapeutic treatment options—meant that these dental diseases were managed mainly by excising affected tissue. The understanding of the diseases and a change in their prevalence, extent, and severity, with evolutions in operative techniques, technologies, and materials, have enabled a shift from surgical to preventive and minimal intervention dentistry approaches. Future challenges to embrace include continuing the dental profession’s move toward a more patient-centered, evidence-based, less invasive management of these diseases, focused on promoting and maintaining oral health in partnership with patients. In parallel, public health needs to continue to, for example, tackle social inequalities in dental health, develop better preventive and management options for existing disease risk groups (e.g., the growing aging population), and the development of reimbursement and health outcome models that facilitate implementation of these evolving strategies. A century ago, almost every treatment involved injections, a drill or scalpel, or a pair of forceps. Today, dentists have more options than ever before available to them. These are supported by evidence, have a minimal intervention focus, and result in better outcomes for patients. The profession’s greatest challenge is moving this evidence into practice.preprintPeer reviewe

    Ab Initio Calculation of Crystalline Electric Fields and Kondo Temperatures in Ce-Compounds

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    We have calculated the band-ff hybridizations for Cex_xLa1x_{1-x}M3_3 compounds (x=1x=1 and x0x\rightarrow 0; M=Pb, In, Sn, Pd) within the local density approximation and fed this into a non-crossing approximation for the Anderson impurity model applied to both dilute and concentrated limits. Our calculations produce crystalline electric field splittings and Kondo temperatures with trends in good agreement with experiment and demonstrate the need for detailed electronic structure information on hybridization to describe the diverse behaviors of these Ce compounds.Comment: 13 pages(RevTeX), 3 Postscript figure
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