Thermal properties of the orthorhombic CaSnO3 perovskite under pressure from ab initio quasi-harmonic calculations

Visible to infrared low temperature luminescence of Er3+, Nd3+ and Sm3+ in CaSnO3 phosphors

(2015) V. Orsi Gordo et al.   APPLIED RADIATION AND ISOTOPES

Catholuminescence properties of rare earth doped CaSnO3 phosphor

(2015) A. Canimoglu et al.   APPLIED RADIATION AND ISOTOPES

Quantum mechanical predictions to elucidate the anisotropic elastic properties of zeolitic imidazolate frameworks: ZIF-4 vs. ZIF-zni

(2015) Jin-Chong Tan et al.   CRYSTENGCOMM

Piezo-optic tensor of crystals from quantum-mechanical calculations

(2015) A. Erba et al.   JOURNAL OF CHEMICAL PHYSICS

In silico infrared and Raman spectroscopy under pressure: The case of CaSnO3 perovskite

(2015) J. Maul et al.   JOURNAL OF CHEMICAL PHYSICS

Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg2SiO4 forsterite

(2015) A. Erba et al.   JOURNAL OF CHEMICAL PHYSICS

On how differently the quasi-harmonic approximation works for two isostructural crystals: Thermal properties of periclase and lime

(2015) A. Erba et al.   JOURNAL OF CHEMICAL PHYSICS

Water-Gas Shift and Methane Reactivity on Reducible Perovskite-Type Oxides

(2015) Ramona Thalinger et al.   Journal of Physical Chemistry C

Inducing a Finite In-Plane Piezoelectricity in Graphene with Low Concentration of Inversion Symmetry-Breaking Defects

(2015) Kh. E. El-Kelany et al.   Journal of Physical Chemistry C

Vibrational and thermodynamic properties of orthorhombic CaSnO3 from DFT and DFPT calculations

(2015) E. Moreira et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Katoite under pressure: an ab initio investigation of its structural, elastic and vibrational properties sheds light on the phase transition

(2015) Alessandro Erba et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3

(2015) Alessandro Erba et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anharmonic Thermal Oscillations of the Electron Momentum Distribution in Lithium Fluoride

(2015) A. Erba et al.   PHYSICAL REVIEW LETTERS

Electron–Hole Recombination Controlled by Metal Doping Sites in NaTaO3 Photocatalysts

(2015) Longjie An et al.   ACS Catalysis

Reverse microemulsion synthesis and characterization of CaSnO3 nanoparticles

(2014) Shahdokht Shojaei et al.   CERAMICS INTERNATIONAL

Perovskites as Substitutes of Noble Metals for Heterogeneous Catalysis: Dream or Reality

(2014) Sébastien Royer et al.   CHEMICAL REVIEWS

How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis

(2014) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

CRYSTAL14: A program for theab initioinvestigation of crystalline solids

(2014) Roberto Dovesi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Optical transition and thermal quenching mechanism in CaSnO3:Eu3+ phosphors

(2014) Jinsu Zhang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

(2014) A. Erba et al.   JOURNAL OF CHEMICAL PHYSICS

Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets

(2014) A. Mahmoud et al.   JOURNAL OF CHEMICAL PHYSICS

On combining temperature and pressure effects on structural properties of crystals with standard ab initio techniques

(2014) A. Erba   JOURNAL OF CHEMICAL PHYSICS

Piezoelectric, elastic, structural and dielectric properties of the Si1−xGexO2solid solution: a theoretical study

(2014) Kh E El-Kelany et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Elasticity of grossular–andradite solid solution: an ab initio investigation

(2014) Valentina Lacivita et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Prediction of a Novel Magnetoelectric Switching Mechanism in Multiferroics

(2014) Yurong Yang et al.   PHYSICAL REVIEW LETTERS

Praseodymium-doped calcium stannates phosphor coatings prepared by electrostatic spray deposition

(2013) K.S. Hwang et al.   CERAMICS INTERNATIONAL

The Structural, Electronic and Elastic Properties, and the Raman Spectra of Orthorhombic CaSnO3through First Principles Calculations

(2013) A. Yangthaisong   CHINESE PHYSICS LETTERS

Low-temperature synthesis and luminescence properties of alkaline-earth stannate phosphors prepared by chemical solution process

(2013) Sung-Dai Kim et al.   Electronic Materials Letters

The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations

(2013) A. Erba et al.   JOURNAL OF CHEMICAL PHYSICS

Zinc oxide nanotubes: An ab initio investigation of their structural, vibrational, elastic, and dielectric properties

(2013) V. Lacivita et al.   JOURNAL OF CHEMICAL PHYSICS

Beryllium Oxide Nanotubes and their Connection to the Flat Monolayer

(2013) J. Baima et al.   Journal of Physical Chemistry C

Ultra soft pseudo potential investigation of fundamental physical properties of CaXO3 (X=Sn and Hf) distorted perovskites: A reference study to the perfect perovskites

(2013) Djellal Cherrad et al.   PHYSICA B-CONDENSED MATTER

Photoelasticity of crystals from theoretical simulations

(2013) A. Erba et al.   PHYSICAL REVIEW B

Piezoelectricity of SrTiO3: Anab initiodescription

(2013) A. Erba et al.   PHYSICAL REVIEW B

Elastic properties of six silicate garnet end members from accurate ab initio simulations

(2013) Alessandro Erba et al.   PHYSICS AND CHEMISTRY OF MINERALS

Synthesis and Luminescence Properties of Trivalent Rare-Earth Element-Doped Calcium Stannate Phosphors

(2013) Y. Karabulut et al.   SPECTROSCOPY LETTERS

Accurate dynamical structure factors fromab initiolattice dynamics: The case of crystalline silicon

(2012) Alessandro Erba et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Enhancement of green long lasting phosphorescence in CaSnO3:Tb3+ by addition of alkali ions

(2012) Zuoqiu Liang et al.   PHYSICA B-CONDENSED MATTER

Effect of A and B-site cations on surface exchange coefficient for ABO3 perovskite materials

(2012) Eric N. Armstrong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Advanced Nanoarchitectures for Solar Photocatalytic Applications

(2011) Anna Kubacka et al.   CHEMICAL REVIEWS

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

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

Phonon behavior of CaSnO3 perovskite under pressure

(2011) Jennifer Kung et al.   JOURNAL OF CHEMICAL PHYSICS

Raman spectroscopy of CaSnO3at high temperature: a highly quasi-harmonic perovskite

(2011) S A T Redfern et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Synthesis of Pr3+ doped or Tb3+–Mg codoped CaSnO3 perovskite phosphor by the polymerized complex method

(2011) Taisuke Nakamura et al.   JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY

Bright white upconversion luminescence from Er3+–Tm3+–Yb3+ doped CaSnO3 powders

(2011) X.L. Pang et al.   OPTICAL MATERIALS

Novel porous CaSnO3:Eu3+ and Ca2SnO4:Eu3+ phosphors by co-precipitation synthesis and postannealing approach: A general route to alkaline-earth stannates

(2010) Xiang Ying Chen et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural distortion of CaSnO3 perovskite under pressure and the quenchable post-perovskite phase as a low-pressure analogue to MgSiO3

(2010) Shigehiko Tateno et al.   PHYSICS OF THE EARTH AND PLANETARY INTERIORS

Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code

(2009) W.F. Perger et al.   COMPUTER PHYSICS COMMUNICATIONS

Hydrothermal Synthesis and Luminescent Properties of Uniform CaSnO[sub 3]:Eu[sup 3+] Microcrystals with Controlled Morphology

(2009) Zuoling Fu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Analytical stress tensor and pressure calculations with the CRYSTAL code

(2009) K. Doll   MOLECULAR PHYSICS

Structural investigations of (Ca,Sr)ZrO3 and Ca(Sn,Zr)O3 perovskite compounds

(2009) Martine Tarrida et al.   PHYSICS AND CHEMISTRY OF MINERALS

Fabrication of Tb–Mg codoped CaSnO3 perovskite thin films and electroluminescence devices

(2009) Kazushige Ueda et al.   THIN SOLID FILMS

Photoluminescence from Epitaxial Films of Perovskite-type Alkaline-earth Stannates

(2008) Kazushige Ueda et al.   Applied Physics Express

Searching for post-perovskite transition in CaSnO3 at high pressure: an ultrasonic velocity study to 18 GPa

(2008) Benjamin Schneider et al.   HIGH PRESSURE RESEARCH

Assessment of a Middle-Range Hybrid Functional

(2008) Thomas M. Henderson et al.   Journal of Chemical Theory and Computation

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

(2008) Atsushi Togo 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