449 citations · 3.2k across the 60 of their papers we have counts for
3 papers · 1 filter
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…
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…
Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequences
Xifan Wu, Massimiliano Stengel, Karin M. Rabe +1
We carry out first-principles calculations of the nonlinear dielectric response of short-period ferroelectric superlattices. We compute and store not only the total polarization, b…