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- W2327005514 abstract "The effective Hubbard $U$ for the bonding coordination defect in glassy Se is investigated. This is accomplished by applying local-density total-energy calculations directly to charged defects. The existence of a sizable negative contribution to $U$ from structural relaxation is confirmed. However, a still larger Coulomb repulsion gives rise to an overall positive $U$. This result is not inconsistent with a negative $U$ in the compound chalcogenide glasses." @default.
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- W2327005514 date "1982-09-13" @default.
- W2327005514 modified "2023-10-16" @default.
- W2327005514 title "Bonding Coordination Defect in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>g</mml:mi></mml:math>-Se: A Positive-<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>U</mml:mi></mml:math> System" @default.
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- W2327005514 doi "https://doi.org/10.1103/physrevlett.49.823" @default.
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