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- W1617757593 abstract "An (exp-6)---type interlayer potential function is computed from factor-group analysis of intralayer and interlayer vibration frequencies in layered $2Hensuremath{-}mathrm{M}mathrm{o}{mathrm{S}}_{2}$ crystal. Such a potential function allows one to include distant-neighbor interactions. For nonbonded intralayer interactions, only Coulombic interactions are considered. In the case of electrically neutral layers, interlayer ionic interactions are not important. This also allows us to confine the lattice sums to two dimensions. The equilibrium conditions, based on invariance of the lattice under internal and external strain, are used to eliminate a few parameters in the potential function. An iterative least-squares-fit method is presented for deriving the potential parameters from the observed vibrational frequencies." @default.
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- W1617757593 date "1984-04-15" @default.
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- W1617757593 title "Interlayer potential in2H−MoS2" @default.
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- W1617757593 doi "https://doi.org/10.1103/physrevb.29.4757" @default.
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