First-principles study of ferroelectric domain walls in multiferroic bismuth ferrite
نویسندگان
چکیده
منابع مشابه
Experimental and first-principles study of point defects, domain walls, and point-defect/domain-wall interactions in ferroelectric oxides
Ferroelectric oxides, such as lead zirconate titanate, have proved invaluable due to their excellent dielectric and piezoelectric properties. These classes of materials possess a large electric polarization below the Curie temperature. Regions of the crystal lattice having different directions of polarization are separated by nano-scale interfaces known as domainwalls. These interfaces, which c...
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Neutron diffraction is used to show that small (∼7 MPa, or 70 bar) uniaxial pressure produces significant changes in the populations of magnetic domains in a single crystal of 2% Nd-doped bismuth ferrite. The magnetic easy plane of the domains converted by the pressure is rotated 60° relative to its original position. These results demonstrate extreme sensitivity of the magnetic properties of m...
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We present a first-principles study of 180° ferroelectric domain walls in tetragonal barium titanate. The theory is based on an effective Hamiltonian that has previously been determined from first-principles ultrasoftpseudopotential calculations. Statistical properties are investigated using Monte Carlo simulations. We compute the domain-wall energy, free energy, and thickness, analyze the beha...
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We present a first-principles study of 180 • ferroelectric domain walls in tetrag-onal barium titanate. The theory is based on an effective Hamiltonian that has previously been determined from first-principles ultrasoft-pseudopotential calculations. Statistical properties are investigated using Monte Carlo simulations. We compute the domain-wall energy, free energy, and thickness, analyze the b...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2009
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.80.104110