First-principles modeling of ferroelectric capacitors via constrained displacement field calculations

Continuous Theory of Ferroelectric States in Ultrathin Films with Real Electrodes

(2009) A. M. Bratkovsky et al.   Journal of Computational and Theoretical Nanoscience

Enhancement of ferroelectricity at metal–oxide interfaces

(2009) Massimiliano Stengel et al.   NATURE MATERIALS

Electric displacement as the fundamental variable in electronic-structure calculations

(2009) Massimiliano Stengel et al.   Nature Physics

Ground state structure ofBaZrO3: A comparative first-principles study

(2009) Ante Bilić et al.   PHYSICAL REVIEW B

Schottky barriers at transition-metal/SrTiO3(001)interfaces

(2009) M. Mrovec et al.   PHYSICAL REVIEW B

Interface phase and tuning of polarization in metal-ferroelectric junctions: A theoretical study

(2008) Matías Núñez et al.   APPLIED PHYSICS LETTERS

Landau Expansion for Ferroelectrics: Which Variable to Use?

(2008) Alexander K. Tagantsev   FERROELECTRICS

First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the Mechanical and Electrical Boundary Conditions

(2008) Javier Junquera et al.   Journal of Computational and Theoretical Nanoscience

Short-range and long-range contributions to the size effect in metal-ferroelectric-metal heterostructures

(2008) A. K. Tagantsev et al.   PHYSICAL REVIEW B

Dependence of polarization on epitaxial strain in ferroelectric ultrathin films from first principles

(2008) S. Bin-Omran et al.   PHYSICAL REVIEW B

Fast molecular-dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian

(2008) Takeshi Nishimatsu et al.   PHYSICAL REVIEW B

Onset of Ferrielectricity and the Hidden Nature of Nanoscale Polarization in Ferroelectric Thin Films

(2008) Matías Nuñez et al.   PHYSICAL REVIEW LETTERS

Predicting Polarization and Nonlinear Dielectric Response of Arbitrary Perovskite Superlattice Sequences

(2008) Xifan Wu et al.   PHYSICAL REVIEW LETTERS

Ferromagneticlike Closure Domains in Ferroelectric Ultrathin Films: First-Principles Simulations

(2008) Pablo Aguado-Puente et al.   PHYSICAL REVIEW LETTERS