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• W1974048321 abstract "{it Ab initio} investigations of the full static dielectric response and Born effective charge of BN nanotubes (BN-NTs) have been performed for the first time using finite electric field method. It is found that the ionic contribution to the static dielectric response of BN-NTs is substantial and also that a pronounced chirality-dependent oscillation is superimposed on the otherwise linear relation between the longitudinal electric polarizability and the tube diameter ($D$), as for a thin dielectric cylinderical shell. In contrast, the transverse dielectric response of the BN-NTs resemble the behavior of a thin (non-ideal) conducting cylindrical shell of a diameter of $D+4$AA$ $, with a screening factor of 2 for the inner electric field. The medium principal component $Z_y^*$ of the Born effective charge corresponding to the transverse atomic displacement tangential to the BN-NT surface, has a pronounced $D$-dependence (but independent of chirality), while the large longitudinal component $Z_z^*$ exhibits a clear chirality dependence (but nearly $D$-independent), suggesting a powerful way to characterize the diameter and chirality of a BN-NT." @default.
• W1974048321 created "2016-06-24" @default.
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• W1974048321 date "2007-06-05" @default.
• W1974048321 modified "2023-10-18" @default.
• W1974048321 title "Static dielectric response and Born effective charge of BN nanotubes from<i>ab initio</i>finite electric field calculations" @default.
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• W1974048321 doi "https://doi.org/10.1103/physrevb.75.245403" @default.
• W1974048321 hasPublicationYear "2007" @default.
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