Session V41: Focus Session: Dielectric, Ferroelectric, and Piezoelectric Oxides V

11:15 AM–2:15 PM, Thursday, March 16, 2006
Baltimore Convention Center - 344

Sponsoring Unit: DMP
Chair: Eric Cockayne, National Institute of Standards and Technology

Abstract ID: BAPS.2006.MAR.V41.12

Abstract: V41.00012 : \emph{Ab-initio} theory of nanoscale capacitors at finite bias

1:51 PM–2:03 PM

Preview Abstract

Authors:

  Massimiliano Stengel
    (Materials Department, University of California, Santa Barbara)

  Nicola Spaldin

We present a novel technique for calculating the properties of an electric field applied to a periodic heterostructure with alternating metallic and insulating layers. This scheme allows us to investigate fully from first- principles the microscopic properties of a thin-film capacitor at finite bias potential. We demonstrate how the capacitance and local permittivity profiles can be readily obtained by performing calculations for the Ag(100)/MgO(100) and SrTiO$_3$(100)/SrRuO$_3$(100) systems. Applications range from the emerging field of electronic devices based on ferroelectric materials, to the {\em ab-initio} simulation of electrochemical cells.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2006.MAR.V41.12