Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Born Effective Charges of Barium Titanate: band by band decomposition
  and sensitivity to structural features   The Born effective charge tensors of Barium Titanate have been calculated for
each of its 4 phases. Large effective charges of Ti and O, also predicted by
shell model calculations and made plausible by a simplified model, reflect the
partial covalent character of the chemical bond. A band by band decomposition
confirms that orbital hybridization is not restricted to Ti and O atoms but
also involves Ba which appears more covalent than generally assumed. Our
calculations reveal a strong dependence of the effective charges on the atomic
positions contrasting with a relative insensitivity on isotropic volume
changes.

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The categories of this paper are: solv-int
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The categories of this paper are: nlin
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The categories of this paper are: q-bio
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The categories of this paper are: chem-ph
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The categories of this paper are: eess
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The categories of this paper are: stat
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The categories of this paper are: funct-an
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The categories of this paper are: quant-ph
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The categories of this paper are: bayes-an
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The categories of this paper are: ao-sci
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The categories of this paper are: patt-sol
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The categories of this paper are: hep-ex
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The categories of this paper are: nucl-th
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The categories of this paper are: econ
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The categories of this paper are: q-fin
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The categories of this paper are: hep-th