Large piezoelectric response in a family of metal-free perovskite ferroelectric compounds from first-principles calculations

Metal-free three-dimensional perovskite ferroelectrics

(2018) Heng-Yun Ye et al.   SCIENCE

Tolerance factors of hybrid organic–inorganic perovskites: recent improvements and current state of research

(2018) S. Burger et al.   Journal of Materials Chemistry A

An organic-inorganic perovskite ferroelectric with large piezoelectric response

(2017) Yu-Meng You et al.   SCIENCE

An Ab-initio study of structural, elastic, electronic and thermodynamic properties of triclinic Cu 7 In 3

(2016) Ching-Feng Yu et al.   MATERIALS CHEMISTRY AND PHYSICS

Integrated Charge Transfer in Organic Ferroelectrics for Flexible Multisensing Materials

(2016) Beibei Xu et al.   Small

On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system

(2016) W. Travis et al.   Chemical Science

Review of recent progress in chemical stability of perovskite solar cells

(2015) Guangda Niu et al.   Journal of Materials Chemistry A

Low-temperature phase of BaTiO3: Piezoelectric, dielectric, elastic, and photoelastic properties fromab initiosimulations

(2014) A. Mahmoud et al.   PHYSICAL REVIEW B

Solid-state principles applied to organic–inorganic perovskites: new tricks for an old dog

(2014) Gregor Kieslich et al.   Chemical Science

Pressure induced variation of second harmonic efficiency of K3B6O10Cl

(2013)   APPLIED PHYSICS LETTERS

First-principles investigation of the Raman spectroscopy of perovskite-like crystal K3B6O10Cl

(2013) Xiaoyang Gong et al.   COMPUTATIONAL MATERIALS SCIENCE

Piezoelectric and ferroelectric materials and structures for energy harvesting applications

(2013) C. R. Bowen et al.   Energy & Environmental Science

A first-principles investigation of the electronic, elastic, piezoelectric and acoustic properties of K3B6O10Cl

(2012) Han Han et al.   COMPUTATIONAL MATERIALS SCIENCE

Ferroelectricity Induced by Ordering of Twisting Motion in a Molecular Rotor

(2012) Yi Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Microscopic Origin of Large Negative Magnetoelectric Coupling inSr1/2Ba1/2MnO3

(2012) Gianluca Giovannetti et al.   PHYSICAL REVIEW LETTERS

Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals?

(2012) Aurélie U. Ortiz et al.   PHYSICAL REVIEW LETTERS

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

van der Waals density functional study of energetic, structural, and vibrational properties of small water clusters and iceIh

(2011) Brian Kolb et al.   PHYSICAL REVIEW B

Displacement-Type Ferroelectricity with Off-Center Magnetic Ions in PerovskiteSr1−xBaxMnO3

(2011) H. Sakai et al.   PHYSICAL REVIEW LETTERS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2010) Jun He et al.   PHYSICAL REVIEW LETTERS

Improvement in hydrogen bond description using van der Waals-corrected DFT: The case of small water clusters

(2009) Pier Luigi Silvestrelli   CHEMICAL PHYSICS LETTERS

Ferroelectricity and polarity control in solid-state flip-flop supramolecular rotators

(2009) Tomoyuki Akutagawa et al.   NATURE MATERIALS