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Cross coupling between ferroelectricity and antiferromagnetism in the multife...
We propose to investigate the interplay of magnetic and structural properties in the multiferroic PbFe1/2Nb1/2O3 (PFN). PFN is the magnetic analogue of the archetypal lead based... -
Interplay between polarization, strain and defect-pairs in Fe-doped SrMnO3-δ
Defect chemistry, strain, and structural, magnetic and electronic degrees of freedom constitute a rich space for the design of functional properties in transition metal oxides.... -
Ferroelectric, quantum paraelectric, or paraelectric? Calculating the evoluti...
We present an inexpensive first-principles approach for describing quantum paraelectricity that combines density functional theory (DFT) treatment of the electronic subsystem... -
Interplay between ferroelectricity and metallicity in BaTiO3
We explore the interplay between ferroelectricity and metallicity, which are generally considered to be contra-indicated properties, in the prototypical ferroelectric barium... -
Ferroelectricity promoted by cation/anion divacancies in SrMnO3
We investigate the effect of polar Sr-O vacancy pairs on the electric polarization of SrMnO3 (SMO) thin films using density functional theory (DFT) calculations. This is...
