First-principles study on dielectric properties of NaCl crystal and ultrathin NaCl films under finite external electric field

Details First-principles study on dielectric properties of NaCl crystal and ultrathin NaCl films under finite external electric field First-principles study on dielectric properties of NaCl crystal and ultrathin NaCl films under finite external electric field

2004-10-07

arxiv.org/abs/cond-mat/0410182v1

Phys. Rev. B 72, 085105 (2005)

Physics

Condensed Matter

Materials Science

11 pages and 4 figures

Scientific paper

10.1103/PhysRevB.72.085105

We present a first-principles study on the dielectric properties of an NaCl crystal and ultrathin NaCl films under a finite external electric field. Our results show that the high-frequency dielectric constant of the films is not affected by the finite size effect from crystal surfaces and is close to that of the crystal, whereas the static one is sensitive to the thickness of the film due to the difference in the atomic configurations between the surface and inside of the film.

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