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- W1977150781 abstract "Triplet-state electronic excitations in quartz were studied using density functional theory (DFT). By using periodic boundary conditions, the lattice response and electronic structure relaxations can be determined in the bulk. Several self-trapped exciton (STE) states have been discovered, in addition to the oxygen-distorted state, which was originally predicted 10 years ago. One of these states is a silicon-distorted state that lies energetically close to the oxygen-distorted state. The results reveal that these two major STE states are likely responsible for two distinct luminescence bands. The luminescence energies for STE states of impurities and intrinsic defects were also determined." @default.
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- W1977150781 date "2000-05-01" @default.
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- W1977150781 title "Self-trapped excitons in quartz" @default.
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- W1977150781 doi "https://doi.org/10.1016/s0168-583x(99)00785-5" @default.
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