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- W2066217671 abstract "We report the results of a linearized augmented-plane-wave calculation of the electronic structure of fcc La at three lattice constants corresponding to ambient pressure, 50, and 120 kbars. The Kohn-Sham-G'aspar approximation for exchange and correlation is used and the potential is allowed a fully non-muffin-tin form. The $f$ bands lie ensuremath{sim}2-2.5 eV above the Fermi level and are ensuremath{sim}1 eV wide, resulting in a very small (0.05 electrons) localized $f$ occupation. Under pressure the $f$ bands rise and broaden appreciably, resulting in only a slight increase in $f$ occupation. The rigid-muffin-tin approximation for the electron-phonon interaction $ensuremath{lambda}$ overestimates the superconducting transition temperature ${T}_{c}$ by 40%, but we find that the drastic increase in ${T}_{c}$ under pressure can be attributed primarily to changes in the electronic stiffness $ensuremath{eta}$. Structural transitions which occur at 25 and 53 kbars may be related to changes in Fermi-surface topology which we find to occur approximately at these pressures." @default.
- W2066217671 created "2016-06-24" @default.
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- W2066217671 date "1980-09-15" @default.
- W2066217671 modified "2023-09-23" @default.
- W2066217671 title "Self-consistent linearized augmented-plane-wave study of the electronic structure and superconductivity of fcc lanthanum under pressure" @default.
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- W2066217671 doi "https://doi.org/10.1103/physrevb.22.2695" @default.
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