Prediction of thickness limits of ideal polar ultrathin films

Details Prediction of thickness limits of ideal polar ultrathin films Prediction of thickness limits of ideal polar ultrathin films

2012-03-26

arxiv.org/abs/1203.5686v1

Phys. Rev. B 85, 121411(R) (2012)

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.85.121411

Competition between electronic and atomic reconstruction is a constantly recurring theme in transition-metal oxides. We use density functional theory calculations to study this competition for a model system consisting of a thin film of the polar, infinite-layer structure ACuO2 (A=Ca, Sr, Ba) grown on a nonpolar, perovskite SrTiO3 substrate. A transition from the bulk planar structure to a chain-type thin film accompanied by substantial changes to the electronic structure is predicted for a SrCuO2 film fewer than five unit cells thick. An analytical model explains why atomic reconstruction becomes more favorable than electronic reconstruction as the film becomes thinner, and suggests that similar considerations should be valid for other polar films.

Affiliated with

Also associated with

No associations

Rating

Prediction of thickness limits of ideal polar ultrathin films does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Prediction of thickness limits of ideal polar ultrathin films, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Prediction of thickness limits of ideal polar ultrathin films will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-642378