Nonconstant electronic density of states tunneling inversion for A15 superconductors:Nb 3 Sn
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We reexamine the tunneling data on A15 superconductors by performing a generalized McMillan-Rowell tunneling inversion that incorporates a nonconstant electronic density of states obtained from band-structure calculations. For ${\mathrm{Nb}}_{3}\mathrm{Sn},$ we find that the fit to the experimental data can be slightly improved by taking into account the sharp structure in the density of states, but it is likely that such an analysis alone is not enough to explain completely the superconducting tunneling characteristics of this material. Nevertheless, the extracted Eliashberg function displays a number of features expected to be present for the highest-quality ${\mathrm{Nb}}_{3}\mathrm{Sn}$ samples.Keywords:
Density of states
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The density of states of electrons is a simple, yet highly-informative, summary of the electronic structure of a material. Here, some remarkable features of the electronic structure that are perceptible from the density of states are concisely reviewed, notably the analytical E vs. k dispersion relation near the band edges, effective mass, Van Hove singularities, and the effective dimensionality of the electrons, all of which have a strong influence on physical properties of materials. We emphasize that appropriate parameters in electronic structure calculations are necessary to obtain even a sufficient-quality density of states exhibiting fine features of the electronic structure.
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Abstract We performed the structure optimization followed by the calculation of electronic structure and magnetic properties on Co2MnGe and Co2MnSn. The structure optimization was based on generalized gradient approximation exchange correlation and full potential linearized augmented plane wave (FP-LAPW) method. The calculation of electronic structure was based on FP-LAPW method using local spin density approximation. We have studied the electronic structure and magnetic properties. The calculated density of states and band structures shows the half-metallic ferromagnets character of Co2MnGe and Co2MnSn. Keywords: GGAhalf-metallicityDOS and band structure Acknowledgments DPR acknowledges DST INSPIRE research fellowship and RKT, a research grant from UGC, New Delhi, India.
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The electronic band structure is presented for PuCoGa5, the recently discovered superconductor with TC ≈ 18 K. The band structure is calculated by the tight-binding linear muffin-tin orbital method in the atomic sphere approximation.
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The authors have performed local density calculations for NaCrS2 with the LMTO-ASA method. They have studied the electronic structure and ground state properties of NaCrS2 in the 3R and the hypothetical 1T structure. The magnetic properties have been studied within the framework of the local spin-density approximation. They obtain a semiconducting antiferromagnetic ground state with a moment of 3 mu B per Cr atom. The electronic band structure is compared with photoemission and optical measurements.
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Recent remarkable progress in angle-resolved photoelectron spectroscopy (ARPES) has enabled the direct observation of the band structures of 4f and 5f materials. In particular, ARPES with various light sources such as lasers () or high-energy synchrotron radiations () has shed light on the bulk band structures of strongly correlated materials with energy scales of a few millielectronvolts to several electronvolts. The purpose of this paper is to summarize the behaviors of 4f and 5f band structures of various rare-earth and actinide materials observed by modern ARPES techniques, and understand how they can be described using various theoretical frameworks. For 4f-electron materials, ARPES studies of (, , and ) and with various incident photon energies are summarized. We demonstrate that their 4f electronic structures are essentially described within the framework of the periodic Anderson model, and that the band-structure calculation based on the local density approximation cannot explain their low-energy electronic structures. Meanwhile, electronic structures of 5f materials exhibit wide varieties ranging from itinerant to localized states. For itinerant compounds such as , their electronic structures can be well-described by the band-structure calculation assuming that all electrons are itinerant. In contrast, the band structures of localized compounds such as and are essentially explained by the localized model that treats electrons as localized core states. In regards to heavy fermion -based compounds such as the hidden-order compound , their electronic structures exhibit complex behaviors. Their overall band structures are generally well-explained by the band-structure calculation, whereas the states in the vicinity of EF show some deviations due to electron correlation effects. Furthermore, the electronic structures of in the paramagnetic and hidden-order phases are summarized based on various ARPES studies. The present status of the field as well as possible future directions are also discussed.
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High resolution angle resolved photoemission measurements and band structure calculations are carried out to study the electronic structure of BaMnSb$_2$. All the observed bands are nearly linear that extend to a wide energy range. The measured Fermi surface mainly consists of one hole pocket around $\Gamma$ and a strong spot at Y which are formed from the crossing points of the linear bands. The measured electronic structure of BaMnSb$_2$ is unusual and deviates strongly from the band structure calculations. These results will stimulate further efforts to theoretically understand the electronic structure of BaMnSb$_2$ and search for novel properties in this Dirac material.
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The synthetic search for materials related to the 39 K superconductor MgB2 has been difficult. The most promising theoretical suggestion, hole doping of LiBC, does not lead to a new superconductor. We show here that a combination of density functional theory (DFT) calculations, materials synthesis, and structural characterization reveals the origin of the puzzling absence of superconductivity in Li1/2BC as a subtle change in the electronic structure driven by structural response to the introduction of holes. This indicates that the unique aspects of the electronic structure of MgB2 will be demanding to replicate in other systems.
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