1.4k citations · 17.8k across the 186 of their papers we have counts for
6 papers · 2 filters
Enhancement of ferroelectricity at metal/oxide interfaces
Massimiliano Stengel, David Vanderbilt, Nicola A. Spaldin
By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the des…
Superexchange-Driven Magnetoelectricity in Magnetic Vortices
Kris T. Delaney, Maxim Mostovoy, Nicola A. Spaldin
We demonstrate that magnetic vortices in which spins are coupled to polar lattice distortions via superexchange exhibit an unusually large linear magnetoelectric response. We show…
Structural phases of strained LaAlO3 driven by octahedral tilt instabilities
Alison J. Hatt, Nicola A. Spaldin
We investigate the effect of epitaxial strain on [001]-oriented LaAlO3 using first-principles density functional calculations. We find a series of structural phase transitions betw…
Structural effects on the spin-state transition in epitaxially strained LaCoO films
James M. Rondinelli, Nicola A. Spaldin
Using density functional theory within the LSDA + U method, we investigate the effect of strain on the spin state and magnetic ordering in perovskite lanthanum cobaltite, LaCoO3. W…
Electronic properties of bulk and thin film SrRuO: a search for the metal-insulator transition
James M. Rondinelli, Nuala M. Caffrey, Stefano Sanvito +1
We calculate the properties of the 4 ferromagnet SrRuO in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at…
Electric displacement as the fundamental variable in electronic-structure calculations
Massimiliano Stengel, Nicola A. Spaldin, David Vanderbilt
Finite-field calculations in periodic insulators are technically and conceptually challenging, due to fundamental problems in defining polarization in extended solids. While signif…