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The dielectric property of the cubic hafnia is investigated in terms of the polarizability density and the dielectric constant density defined by one of the authors. We study it by using the cluster model embedded in point charges which represent the surrounding atoms. It is shown that the cubic hafnia show complicated responses to external electric fields, in particular, rotational ones. We stress that the nanosize material should be studied in the local and tensor quantity analysis to describe rotational responses correctly. We also show that the choice of models, in particular, termination condition, is important for these analyses, by comparing the point charge model and the hydrogen termination model.
- Jpn J Appl Phys
Jpn J Appl Phys 49(11), 111504-111504-7, 2010-11-25
The Japan Society of Applied Physics