Physics of the Solid State

, Volume 51, Issue 9, pp 1875–1880 | Cite as

Ferroelectric phenomena in CdSnO3: A first-principles studies

  • A. I. Lebedev
Magnetism and Ferroelectricity


The phonon spectrum of cubic cadmium metastannate and parameters of the crystal structure of its distorted phases were calculated from first principles within the density functional theory. It is shown that the phonon spectrum and the energy spectrum of the distorted phases in α-CdSnO3 resemble surprisingly the corresponding characteristics of CdTiO3. The ground state of α-CdSnO3 is the ferroelectric Pbn21 phase, the energy gain from the phase transition to this phase from the nonpolar phase Pbnm is ∼30 meV, and the spontaneous polarization is 0.25 C/m2. The analysis of the eigenvector of the ferroelectric mode in α-CdSnO3 and the partial densities of states indicates that the ferroelectric instability in this crystal, which does not contain transition d-element atoms, is associated with the formation of a covalent bonding between Cd and O atoms.

PACS numbers

61.50.Ah 63.20.D- 77.84.Dy 


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Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  1. 1.Moscow State UniversityMoscowRussia

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