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- W2003670019 abstract "The Born effective charge, Z*, that describes the polarization created by collective atomic displacements, can be computed from first-principles following different techniques. We establish the connections existing between these different formulations, and analyze the related band-by-band decompositions. We show that unlike for the full Z*, the different band-by-band values are not equal, and emphasize that one of them has a natural physical meaning in terms of Wannier functions." @default.
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- W2003670019 date "2000-10-09" @default.
- W2003670019 modified "2023-10-06" @default.
- W2003670019 title "Band-by-band decompositions of the Born effective charges" @default.
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- W2003670019 doi "https://doi.org/10.1088/0953-8984/12/43/308" @default.
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