Design of noncentrosymmetric perovskites from centric and acentric basic building units

Design and Synthesis of the Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Ba3(ZnB5O10)PO4

(2015) Hongwei Yu et al.   ADVANCED MATERIALS

Prediction of Stable Nitride Perovskites

(2015) Rafael Sarmiento-Pérez et al.   CHEMISTRY OF MATERIALS

Tuning the ferroelectric polarization in AA′MnWO6 double perovskites through A cation substitution

(2015) Joshua Young et al.   DALTON TRANSACTIONS

On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6–x]2– (x = 1, 2) Building Units

(2015) Romain Gautier et al.   INORGANIC CHEMISTRY

Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups

(2015) Xiaoyu Dong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ferroelectricity ind0double perovskite fluoroscandates

(2015) Nenian Charles et al.   PHYSICAL REVIEW B

Noncentrosymmetric structural transitions in ultrashort ferroelectricAGaO3/A′GaO3superlattices

(2015) Nayoung Song et al.   PHYSICAL REVIEW B

Interplay of Spin-Orbit Interactions, Dimensionality, and Octahedral Rotations in SemimetallicSrIrO3

(2015) Y. F. Nie et al.   PHYSICAL REVIEW LETTERS

Classification ofABO3perovskite solids: a machine learning study

(2015) G. Pilania et al.   Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials

Crystal Chemistry and Selected Physical Properties of Inorganic Fluorides and Oxide-Fluorides

(2014) Marc Leblanc et al.   CHEMICAL REVIEWS

Covalent dependence of octahedral rotations in orthorhombic perovskite oxides

(2014) Antonio Cammarata et al.   JOURNAL OF CHEMICAL PHYSICS

Fluorination of Epitaxial Oxides: Synthesis of Perovskite Oxyfluoride Thin Films

(2014) Eun Ju Moon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Interfacial Octahedral Behavior in Ultrathin Manganite Films

(2014) E. J. Moon et al.   NANO LETTERS

Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy

(2014) J. H. Lee et al.   NATURE MATERIALS

Microscopic origin of pressure-induced isosymmetric transitions in fluoromanganate cryolites

(2014) Nenian Charles et al.   PHYSICAL REVIEW B

Improper ferroelectricity and piezoelectric responses in rhombohedral (A,A′)B2O6perovskite oxides

(2014) Joshua Young et al.   PHYSICAL REVIEW B

Spatial control of functional properties via octahedral modulations in complex oxide superlattices

(2014) E. J. Moon et al.   Nature Communications

Atomically precise interfaces from non-stoichiometric deposition

(2014) Y. F. Nie et al.   Nature Communications

Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy

(2014) Danilo Puggioni et al.   Nature Communications

Atomic Scale Design of Polar Perovskite Oxides without Second-Order Jahn–Teller Ions

(2013) Joshua Young et al.   CHEMISTRY OF MATERIALS

Crystal-Chemistry Guidelines for Noncentrosymmetric A2BO4 Ruddlesden−Popper Oxides

(2013) Prasanna V. Balachandran et al.   INORGANIC CHEMISTRY

Exploiting dimensionality and defect mitigation to create tunable microwave dielectrics

(2013) Che-Hui Lee et al.   NATURE

Atomic level observation of octahedral distortions at the perovskite oxide heterointerface

(2013) Ryotaro Aso et al.   Scientific Reports

Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites

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

Preservation of Chirality and Polarity between Chiral and Polar Building Units in the Solid State

(2012) Romain Gautier et al.   INORGANIC CHEMISTRY

CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions

(2012) In Chung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures

(2012) Martin D. Donakowski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery

(2012) James M. Rondinelli et al.   MRS BULLETIN

Structure and Properties of Functional Oxide Thin Films: Insights From Electronic-Structure Calculations

(2011) James M. Rondinelli et al.   ADVANCED MATERIALS

Short-Range Layered A-Site Ordering in Double Perovskites NaLaBB′O6(B = Mn, Fe; B′ = Nb, Ta)

(2011) Walid Dachraoui et al.   CHEMISTRY OF MATERIALS

Perovskite-like fluorides and oxyfluorides: Phase transitions and caloric effects

(2011) I. N. Flerov et al.   CRYSTALLOGRAPHY REPORTS

Crystal growth, structures, and optical properties of the cubic double perovskites Ba2MgWO6 and Ba2ZnWO6

(2011) Daniel E. Bugaris et al.   JOURNAL OF SOLID STATE CHEMISTRY

Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities

(2011) T. Fukushima et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Control of octahedral rotations in (LaNiO3)n/(SrMnO3)msuperlattices

(2011) S. J. May et al.   PHYSICAL REVIEW B

Cation ordering in perovskites

(2010) Graham King et al.   JOURNAL OF MATERIALS CHEMISTRY

Key Role of Covalent Bonding in Octahedral Tilting in Perovskites

(2010) P. Garcia-Fernandez et al.   Journal of Physical Chemistry Letters

Anion order in perovskite oxynitrides

(2010) Minghui Yang et al.   Nature Chemistry

Control of Octahedral Tilts and Magnetic Properties of Perovskite Oxide Heterostructures by Substrate Symmetry

(2010) Jun He et al.   PHYSICAL REVIEW LETTERS

Effect of substituting of S for O: The sulfide perovskiteBaZrS3investigated with density functional theory

(2009) Joseph W. Bennett et al.   PHYSICAL REVIEW B

Improper ferroelectricity in perovskite oxide artificial superlattices

(2008) Eric Bousquet et al.   NATURE

Towards a magnetoelectric memory

(2008) Manuel Bibes et al.   NATURE MATERIALS

Electronic properties of bulk and thin filmSrRuO3: Search for the metal-insulator transition

(2008) James M. Rondinelli et al.   PHYSICAL REVIEW B

Manipulating magnetic properties ofSrRuO3andCaRuO3with epitaxial and uniaxial strains

(2008) A. T. Zayak et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS