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• W2158024800 abstract "The existence of anharmonic localization of lattice vibrations in a perfect three-dimensional diatomic ionic crystal is established for the rigid-ion model by molecular dynamics simulations. For a realistic set of NaI potential parameters, an intrinsic localized gap mode vibrating in the [111] direction is observed for fcc and zinc-blende lattices. An axial elastic distortion is an integral feature of this mode which forms more readily for the zinc blende than for the fcc structure. Molecular dynamics simulations verify that in each structure this localized mode may be stable for at least 200 cycles." @default.
• W2158024800 created "2016-06-24" @default.
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• W2158024800 date "1997-03-01" @default.
• W2158024800 modified "2023-10-09" @default.
• W2158024800 title "Generation of intrinsic vibrational gap modes in three-dimensional ionic crystals" @default.
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• W2158024800 doi "https://doi.org/10.1103/physrevb.55.5755" @default.
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