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- W2000719809 abstract "The +1 charged state of an oxygen vacancy V(O)+ in α-quartz is found to be unstable with respect to the reaction 2V(O)+→V(O)0+V(O)2+, which lowers the total energy by 2.9 eV, making it highly unlikely that V(O)+ is the source of the electron-paramagnetic-resonance (EPR) active E1′ center in α-quartz. Results from ab initio total energy calculations indicate that V(SiO3)+ and V(SiO4)+ are the smallest EPR active vacancy complexes. The atomic and electronic structures of these two multivacancy clusters are surprisingly similar to those of V(O)+." @default.
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- W2000719809 date "2003-07-16" @default.
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- W2000719809 title "Negative-U property of the oxygen vacancy defect in SiO2 and its implication for the E1′ center in α-quartz" @default.
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- W2000719809 doi "https://doi.org/10.1063/1.1592003" @default.
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