金红石型晶体晶格势常数计算注记

E. Yamaka, K. Narita
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引用次数: 6

摘要

给出了晶格中一个低对称性点的势常数的计算注记。本文给出了几种金红石型晶体阴离子处电场的计算值及其在阳离子处电场的梯度。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Notes on the lattice potential constants calculations in rutile type crystals

Notes on the calculation of potential constants for a site of low symmetry in the lattice are presented. The calculated values of the electric field at an anion site and its gradient a cation site are tabulated for several rutile type crystals.

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