First-principles study of octahedral tilting and ferroelectric-like transition in metallicLiOsO3

Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy

(2014) Danilo Puggioni et al.   Nature Communications

A ferroelectric-like structural transition in a metal

(2013) Youguo Shi et al.   NATURE MATERIALS

Octahedral tilting-induced ferroelectricity inASnO3/A′SnO3superlattices (A,A′=Ca, Sr, and Ba)

(2013) Hyunsu Sim et al.   PHYSICAL REVIEW B

Evolution of the Fermi surface of arsenic through the rhombohedral to simple-cubic phase transition: A Wannier interpolation study

(2013) Patricia K. Silas et al.   PHYSICAL REVIEW B

Structural and correlation effects in the itinerant insulating antiferromagnetic perovskite NaOsO3

(2013) Myung-Chul Jung et al.   PHYSICAL REVIEW B

Emergent Superstructural Dynamic Order due to Competing Antiferroelectric and Antiferrodistortive Instabilities in BulkEuTiO3

(2013) Jong-Woo Kim et al.   PHYSICAL REVIEW LETTERS

Theory of HighTcFerrimagnetism in a Multiorbital Mott Insulator

(2013) O. Nganba Meetei et al.   PHYSICAL REVIEW LETTERS

Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites

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

Electronic structure and magnetic properties of NaOsO3

(2012) Yongping Du et al.   PHYSICAL REVIEW B

Giant Electrocaloric Effect AroundTc

(2012) Maimon C. Rose et al.   PHYSICAL REVIEW LETTERS

Maximally localized Wannier functions: Theory and applications

(2012) Nicola Marzari et al.   REVIEWS OF MODERN PHYSICS

Rotation-reversal symmetries in crystals and handed structures

(2011) Venkatraman Gopalan et al.   NATURE MATERIALS

Origin of pyroelectricity in LiNbO3

(2011) Qing Peng et al.   PHYSICAL REVIEW B

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

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

AMPLIMODES: symmetry-mode analysis on the Bilbao Crystallographic Server

(2009) Danel Orobengoa et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Improper ferroelectricity in perovskite oxide artificial superlattices

(2008) Eric Bousquet et al.   NATURE

LiNbO3ground- and excited-state properties from first-principles calculations

(2008) W. G. Schmidt et al.   PHYSICAL REVIEW B

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS