Hyperferroelectrics: Proper Ferroelectrics with Persistent Polarization

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites

(2012) James M. Rondinelli et al.   ADVANCED MATERIALS

Growth and interfacial properties of epitaxial oxides on semiconductors: ab initio insights

(2012) Kevin F. Garrity et al.   JOURNAL OF MATERIALS SCIENCE

Electrical properties of improper ferroelectrics from first principles

(2012) Massimiliano Stengel et al.   PHYSICAL REVIEW B

HexagonalABCSemiconductors as Ferroelectrics

(2012) Joseph W. Bennett et al.   PHYSICAL REVIEW LETTERS

Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling

(2011) Nicole A. Benedek et al.   PHYSICAL REVIEW LETTERS

Crystalline Oxides on Silicon

(2010) James W. Reiner et al.   ADVANCED MATERIALS

Interface-Induced Polarization and Inhibition of Ferroelectricity in EpitaxialSrTiO3/Si

(2010) A. M. Kolpak et al.   PHYSICAL REVIEW LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electric displacement as the fundamental variable in electronic-structure calculations

(2009) Massimiliano Stengel et al.   Nature Physics

Absence of Critical Thickness in an Ultrathin Improper Ferroelectric Film

(2009) Na Sai et al.   PHYSICAL REVIEW LETTERS

Improper ferroelectricity in perovskite oxide artificial superlattices

(2008) Eric Bousquet et al.   NATURE