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Interface control of emergent ferroic order in Ruddlesden-Popper SrTiO
Turan Birol, Nicole A. Benedek, Craig J. Fennie
We have discovered from first-principles an unusual polar state in the low n SrTiO Ruddlesden-Popper (RP) layered perovskites in which ferroelectricity is near…
Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO
Robert F. Berger, Craig J. Fennie, Jeffrey B. Neaton
The effects of ferroic distortion and biaxial strain on the band gap and band edges of SrTiO (STO) are calculated using density functional theory and many-body perturbation t…
Polar octahedral rotations: a path to new multifunctional materials
Nicole A. Benedek, Andrew T. Mulder, Craig J. Fennie
Perovskite ABO oxides display an amazing variety of phenomena that can be altered by subtle changes in the chemistry and internal structure, making them a favorite class of mat…
Octahedral rotation-induced ferroelectricity in cation ordered perovskites
James M. Rondinelli, Craig J. Fennie
Increasing demands for electric field-tunable electric, magnetic, and orbital (EMO) materials has renewed interests in ferroelectricity and its coupling to EMO properties in comple…