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polymorphs: Structural motifs and dielectric constant from first principles
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10.1063/1.3308475
/content/aip/journal/apl/96/6/10.1063/1.3308475
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/6/10.1063/1.3308475

Figures

Image of FIG. 1.
FIG. 1.

Ta–O coordination polyhedra arrangements in LT(o)(top), O2 (bottom left), and H (bottom right).

Image of FIG. 2.
FIG. 2.

Example of bond network (O1). Numbers correspond to the deviations from 180°.

Image of FIG. 3.
FIG. 3.

Lattice contribution to the dielectric constant integrated over the IR range of frequencies.

Tables

Generic image for table
Table I.

Supercell parameters; volume per formula unit; energy per formula unit relative to LT(O); static and high-frequency dielectric constant.

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/content/aip/journal/apl/96/6/10.1063/1.3308475
2010-02-09
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ta2O5 polymorphs: Structural motifs and dielectric constant from first principles
http://aip.metastore.ingenta.com/content/aip/journal/apl/96/6/10.1063/1.3308475
10.1063/1.3308475
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