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- W2061170469 abstract "The electronic structures of the cerium chalcogenides CeS, CeSe, and CeTe are studied using the self-interaction corrected local spin-density approximation. This method allows for either a localized or an itinerant description of the cerium f electrons. The observed equilibrium lattice constants and bulk modulii are well reproduced assuming a trivalent cerium configuration. Pressure induced phase transitions are associated with the delocalization of the f electrons. The observed transitions are quantitatively reproduced in the calculation, and high-pressure phase transitions are predicted. The calculations provide a unifying picture of the cerium chalcogenides under pressure." @default.
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- W2061170469 date "1999-03-15" @default.
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- W2061170469 title "Theory of pressure-induced phase transitions in cerium chalcogenides" @default.
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- W2061170469 doi "https://doi.org/10.1103/physrevb.59.7888" @default.
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