First Principles Study of Improper Ferroelectricity inTbMnO3
نویسندگان
چکیده
منابع مشابه
First principles study of improper ferroelectricity in TbMnO3.
We carry out a first-principles theoretical study of the magnetically induced polarization in orthorhombic TbMnO3, a prototypical material in which a cycloidal-spin structure generates an electric polarization via the spin-orbit interaction. We compute both the electronic and the lattice-mediated contributions to the polarization and find that the latter is strongly dominant. We analyze the spi...
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We present results of local spin density approximation (LSDA) pseudopotential calculations for the perovskite structure oxide, bismuth manganite (BiMnO3). The origin of the differences between bismuth manganite and other perovskite manganites is determined by first calculating total energies and band structures of the high symmetry cubic phase, then sequentially lowering the magnetic and struct...
متن کاملFirst-principles theory of magnetically induced ferroelectricity in TbMnO3
We study the polarization induced via spin-orbit interaction by a magnetic cycloidal order in orthorhombic TbMnO3 using first-principle methods. The case of magnetic spiral lying in the bc plane is analyzed, in which the pure electronic contribution to the polarization is shown to be small. We focus our attention on the lattice-mediated contribution, and study it’s dependence on the Coulomb int...
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Using first-principles calculations, we study the microscopic origin of ferroelectricity (FE) induced by magnetic order in the orthorhombic HoMnO3. We obtain the largest ferroelectric polarization observed in the whole class of improper magnetic ferroelectrics to date. We find that the two proposed mechanisms for FE in multiferroics, lattice and electronic based, are simultaneously active in th...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2008
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.101.037210