Polar distortions in hydrogen-bonded organic ferroelectrics

Hydrogen-Bonding Molecular Chains for High-Temperature Ferroelectricity

(2011) Sachio Horiuchi et al.   ADVANCED MATERIALS

Electric Control of Magnetization and Interplay between Orbital Ordering and Ferroelectricity in a Multiferroic Metal-Organic Framework

(2011) Alessandro Stroppa et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Exceptionally strong magnetism in the 4dperovskitesRTcO3(R=Ca, Sr, Ba)

(2011) C. Franchini et al.   PHYSICAL REVIEW B

Mode crystallography of distorted structures

(2010) J. M. Perez-Mato et al.   ACTA CRYSTALLOGRAPHICA SECTION A

Phonons, Instabilities and Origin of Polarization in KDP Crystals

(2010) G. Colizzi et al.   FERROELECTRICS

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Above-room-temperature ferroelectricity in a single-component molecular crystal

(2010) Sachio Horiuchi et al.   NATURE

Harvesting randomness

(2010) Peter Hänggi   NATURE MATERIALS

Ferroelectricity in a one-dimensional organic quantum magnet

(2010) Fumitaka Kagawa et al.   Nature Physics

Hybrid functional study of proper and improper multiferroics

(2010) A. Stroppa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

(Cu2S2)(Sr3Sc2O5)−A Layered, Direct Band Gap, p-Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis.

(2009) David O. Scanlon et al.   CHEMISTRY OF MATERIALS

Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis

(2009) David O. Scanlon et al.   CHEMISTRY OF MATERIALS

Multiferroic Behavior Associated with an Order−Disorder Hydrogen Bonding Transition in Metal−Organic Frameworks (MOFs) with the Perovskite ABX3Architecture

(2009) Prashant Jain et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional

(2009) A. Stroppa et al.   PHYSICAL REVIEW B

Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors

(2009) Kerstin Hummer et al.   PHYSICAL REVIEW B

Acceptor Levels inp-TypeCu2O: Rationalizing Theory and Experiment

(2009) David O. Scanlon et al.   PHYSICAL REVIEW LETTERS

Polaronic Hole Trapping in DopedBaBiO3

(2009) C. Franchini et al.   PHYSICAL REVIEW LETTERS

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Organic ferroelectrics

(2008) Sachio Horiuchi et al.   NATURE MATERIALS

Polymer electronic memories: Materials, devices and mechanisms

(2008) Qi-Dan Ling et al.   PROGRESS IN POLYMER SCIENCE