Derivation and application ofab initioNb5+–O2−short-range effective pair potentials in shell-model simulations ofKNbO3andKTaO3-Reference-Cited by-同舟云学术

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Derivation and application ofab initioNb5+–O2−short-range effective pair potentials in shell-model simulations ofKNbO3andKTaO3

Published:1994-02-01 Issue:6 Volume:49 Page:3746-3754
ISSN:0163-1829
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Donnerberg H.,Exner M.

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.49.3746/fulltext

Reference29 articles.

1. Potential models for ionic oxides

2. The calculated defect properties of La2CuO4related to high-Tcsuperconductivity

3. Computer-simulation studies of intrinsic defects inLiNbO3crystals

4. Theory of the Dielectric Constants of Alkali Halide Crystals

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3. Atomistic study of lattice structure of BiScO3;Computational Materials Science;2007-12

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