Session G20: Focus Session: Complex Oxide Thin Films Surfaces and Interfaces II: Surfaces and Theory

8:00 AM–11:00 AM, Tuesday, March 14, 2006
Baltimore Convention Center - 317

Sponsoring Units: DMP GMAG
Chair: Maria Varela, Oak Ridge National Laboratory

Abstract ID: BAPS.2006.MAR.G20.9

Abstract: G20.00009 : Ab Initio Study of Multiferroicity in La(Al,Fe,Cr)O$_3$

9:36 AM–9:48 AM

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Authors:

  Alison Hatt
    (Physics Department, UC Santa Barbara)

  Nicola Spaldin
    (Materials Department, UC Santa Barbara)

We present the results of \em ab initio \rm density functional calculations of perovskite-structure La(Al,Fe,Cr)O$_3$. Our calculations reveal two structurally distorted ground states of opposite polarization. Motivated by the growth of three-layer superlattices with enhanced polarization, we investigate the ferroelectricity and magnetic ordering of the La(Al,Fe,Cr)O$_3$ system with the goal of finding emergent multiferroicity due to interfacial strain and inversion symmetry breaking. Finally, we investigate constrained tetragonal LaAlO$_3$ to determine its role in the ferroelectric properties of the supercell.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2006.MAR.G20.9