Craig J. Fennie

Magnetic and electric phase control in epitaxial EuTiO(3) from first principles.

We propose a design strategy--based on the coupling of spins, optical phonons, and strain--for systems in which magnetic (electric) phase control can be achieved by an applied electric (magnetic) field. Using first-principles density-functional theory calculations, we present a realization of this strategy for the magnetic perovskite EuTiO(3).

Ferroelectric transition in Y Mn O 3 from first principles

We have studied the structural phase transition of multiferroic YMnO

Structural and dielectric properties of Sr 2 TiO 4 from first principles

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Polar phonons and intrinsic dielectric response of the ferromagnetic insulating spinel Cd Cr 2 S 4 from first principles

from first principles. Using group-theoretical analysis and first-principles density functional calculations of the total energy and phonons, we perform a systematic study of the energy surface around the prototypic phase. We find a single instability at the zone-boundary which couples strongly to the polarization. This coupling is the mechanism that allows multiferroicity in this class of materials. Our results imply that YMnO

First-principles investigation of ferroelectricity in epitaxially strained Pb 2 Ti O 4

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Ferroelectricity in the Dion-Jacobson CsBiNb2O7 from first principles

is an improper ferroelectric. We suggest further experiments to clarify this point.

Broken parity and a chiral ground state in the frustrated magnet CdCr2O4

We have investigated the structural and dielectric properties of Sr

Raman study of magnetic excitations and magnetoelastic coupling in α -SrCr 2 O 4

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Interplay of octahedral rotations, antipolar distortions, and cation ordering in perovskite hybrid improper ferroelectrics

TiO

Ferroic Coupling in Layered Perovskites from First Principles

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