Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO3
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text
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January 1996 |
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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journal
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April 1990 |
X-ray and neutron diffraction study of ferroelectric PbTiO 2
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journal
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February 1956 |
van der Waals forces in density functional theory: a review of the vdW-DF method
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journal
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May 2015 |
Nonmonotonic T C Trends in Bi-Based Ferroelectric Perovskite Solid Solutions
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journal
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January 2007 |
Atomic-level simulation of ferroelectricity in oxide materials
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journal
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June 2005 |
The equation of state of PbTiO 3 up to 37 GPa: a synchrotron x-ray powder diffraction study
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journal
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October 2002 |
The Jahn–Teller Effect
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book
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January 2006 |
Applications of the generalized gradient approximation to ferroelectric perovskites
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text
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January 1998 |
Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
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journal
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January 2014 |
(Bi 1/2 Na 1/2 )TiO 3 -BaTiO 3 System for Lead-Free Piezoelectric Ceramics
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journal
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September 1991 |
Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals
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journal
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October 2013 |
Chemical accuracy for the van der Waals density functional
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journal
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December 2009 |
Chemical accuracy for the van der Waals density functional
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journal
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December 2009 |
Electronic structure studies of the differences in ferroelectric behavior of batio 3 and PbTiO 3
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journal
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November 1992 |
Van der Waals Density Functional for General Geometries
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journal
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June 2004 |
Spontaneous polarization as a Berry phase of the Hartree-Fock wave function: The case of KNbO 3
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journal
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October 1997 |
(Na0.5K0.5)NbO3–LiTaO3 lead-free piezoelectric ceramics
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journal
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February 2005 |
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
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journal
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August 2009 |
Nonlocal van der Waals density functional: The simpler the better
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journal
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December 2010 |
Cubic-tetragonal-orthorhombic-rhombohedral ferroelectric transitions in perovskite potassium niobate: neutron powder profile refinement of the structures
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journal
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August 1973 |
Applications of the generalized gradient approximation to ferroelectric perovskites
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journal
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November 1998 |
Applications of the generalized gradient approximation to ferroelectric perovskites
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text
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January 1998 |
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
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text
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January 2008 |
Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
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journal
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January 2014 |
Pseudopotentials for high-throughput DFT calculations
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journal
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January 2014 |
Crystal optical studies of spontaneous and precursor polarization in KNbO 3
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journal
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August 1984 |
First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO 3
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journal
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September 1995 |
Van der Waals Density Functional for Layered Structures
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journal
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September 2003 |
Neutron Diffraction Study of Orthorhombic BaTi O 3
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journal
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February 1957 |
Ferroelectric soft mode and relaxation behavior in a molecular-dynamics simulation of KNbO 3 and KTaO 3
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journal
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July 1997 |
Theory of polarization of crystalline solids
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journal
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January 1993 |
SrTiO 3 and BaTiO 3 revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals
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journal
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September 2008 |
Finite Elastic Strain of Cubic Crystals
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journal
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June 1947 |
Error estimates for solid-state density-functional theory predictions: an overview by means of the ground-state elemental crystals
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text
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January 2012 |
Compression of KNbO 3 up to 30 GPa: Transition sequence orthorhombic→tetragonal→cubic
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journal
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January 2002 |
Lattice parameters and birefringence in PbTiO 3 single crystals
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journal
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February 1979 |
Phase Transitions in BaTi O 3 from First Principles
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journal
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September 1994 |
Higher-accuracy van der Waals density functional
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journal
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August 2010 |
Recent development of the vibronic theory of ferroelectricity
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journal
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February 1995 |
Chemical accuracy for the van der Waals density functional
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preprint
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January 2009 |
First principles analysis of vibrational modes in KNbO 3
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journal
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November 1992 |
High-pressure effect on the ferroelectric-paraelectric transition in PbTiO3
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journal
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November 2011 |
Van der Waals density functional: An appropriate exchange functional
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journal
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April 2010 |
Ground State of the Electron Gas by a Stochastic Method
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journal
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August 1980 |
Atomistic modelling of BaTiO 3 based on first-principles calculations
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journal
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November 1999 |
Morphotropic phase boundary and electrical properties of K1−xNaxNbO3 lead-free ceramics
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journal
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January 2009 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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journal
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September 2009 |
Finite-temperature properties of nonmagnetic transition metals: Comparison of the performance of constraint-based semilocal and nonlocal functionals
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journal
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February 2017 |
Thermodynamic theory of PbTiO 3
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journal
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October 1987 |
Structures of the ferroelectric phases of barium titanate
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journal
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March 1993 |
Piezoelectric Properties of Lead Zirconate‐Lead Titanate Solid‐Solution Ceramics
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journal
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June 1954 |
Recent development of the vibronic theory of ferroelectricity
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journal
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February 1995 |
Theory of Ferroelectrics: A vision for the next decade and beyond
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book
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January 2005 |
Relationship between local structure and phase transitions of a disordered solid solution
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journal
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October 2002 |
Properties of piezoelectric ceramics in the solid-solution series lead titanate-lead zirconate-lead oxide: Tin oxide and lead titanate-lead hafnate
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journal
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November 1955 |
Structure of rhombohedral ferroelectric barium titanate
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journal
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January 1973 |
Lead-free piezoelectric ceramics: Alternatives for PZT?
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journal
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March 2007 |
First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3
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text
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January 1995 |
Dielectric Properties and Phase Transitions of NaNb O 3 and (Na,K)Nb O 3
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journal
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November 1954 |
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
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journal
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April 2008 |
Morphotropic phase boundary and electrical properties of K1−xNaxNbO3 lead-free ceramics
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journal
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January 2009 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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journal
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April 2008 |
(Na0.5K0.5)NbO3–LiTaO3 lead-free piezoelectric ceramics
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journal
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February 2005 |
Piezoelectric Properties of Pb(Mg1/3Nb2/3)O3-PbTiO3-PbZrO3 Solid Solution Ceramics
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journal
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December 1965 |
Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid
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text
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January 2012 |
Structural phase transition and dynamical properties of PbTiO 3 simulated by molecular dynamics
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journal
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September 2005 |
Electron paramagnetic resonance of Fe3+ in orthorhombic KNbO3
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journal
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January 1980 |
Wang-Landau Monte Carlo formalism applied to ferroelectrics
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journal
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January 2016 |
Theory of ferroelectrics: a vision for the next decade and beyond
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journal
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February 2000 |
Finite-temperature properties of ( Ba , Sr ) Ti O 3 systems from atomistic simulations
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journal
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April 2006 |
Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends
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journal
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July 2007 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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journal
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September 2009 |
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
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journal
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September 2007 |
Lead-free piezoelectric ceramics: Alternatives for PZT?
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journal
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February 2007 |
Current status and prospects of lead-free piezoelectric ceramics
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journal
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January 2005 |
Parallel Nanoimprint Forming of One-Dimensional Chiral Semiconductor for Strain-Engineered Optical Properties
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journal
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August 2020 |
Electron paramagnetic resonance of Fe3+ in orthorhombic KNbO3
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journal
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January 1980 |
Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid
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journal
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September 2012 |
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
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text
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January 2007 |
Van der Waals Density Functional for General Geometries
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text
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January 2004 |
Local structure and macroscopic properties in Pb Mg 1 ∕ 3 Nb 2 ∕ 3 O 3 − Pb Ti O 3 and Pb Zn 1 ∕ 3 Nb 2 ∕ 3 O 3 − Pb Ti O 3 solid solutions
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journal
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December 2004 |
van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
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journal
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May 2014 |
Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Spontaneous polarization as a Berry phase of the Hartree-Fock wave function: The case of KNbO 3
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journal
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October 1997 |
van der Waals forces in density functional theory: a review of the vdW-DF method
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journal
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May 2015 |
Energy dispersive X-ray diffraction study of KNbO 3 up to 19 GPa at room temperature
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journal
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April 1999 |
Lattice dynamics and origin of ferroelectricity in BaTiO 3 : Linearized-augmented-plane-wave total-energy calculations
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journal
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October 1990 |
Comment on “Generalized Gradient Approximation Made Simple”
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journal
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January 1998 |
Nonmonotonic T C Trends in Bi-Based Ferroelectric Perovskite Solid Solutions
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journal
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January 2007 |
Reproducibility in density functional theory calculations of solids
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journal
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March 2016 |
First-principles investigation of ferroelectricity in perovskite compounds
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journal
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March 1994 |
Relationship between local structure and phase transitions of a disordered solid solution
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journal
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October 2002 |
Generalized Gradient Approximation Made Simple
|
journal
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October 1996 |
Nonlocal van der Waals density functional: The simpler the better
|
text
|
January 2010 |
van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
|
text
|
January 2014 |
Quantitative analysis of the first-principles effective Hamiltonian approach to ferroelectric perovskites
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journal
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February 2003 |
An exchange functional that tests the robustness of the plasmon description of the van der Waals density functional
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text
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January 2013 |
Elasticity of CaTiO3, SrTiO3 and BaTiO3 perovskites up to 3.0 Gpa: the effect of crystallographic structure
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journal
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July 1993 |
Van der Waals density functionals applied to solids
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text
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January 2011 |
Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO 3
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journal
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March 1997 |
Origin of ferroelectricity in perovskite oxides
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journal
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July 1992 |
First-principles based modelling of ferroelectrics
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journal
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December 1997 |
Quantitative analysis of the first-principles effective-Hamiltonian approach to ferroelectric perovskites
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text
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January 2002 |
Properties of piezoelectric ceramics in the solid-solution series lead titanate-lead zirconate-lead oxide: Tin oxide and lead titanate-lead hafnate
|
journal
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November 1955 |
Theory of ferroelectrics: A vision for the next decade and beyond
|
preprint
|
January 1999 |
Van der Waals density functionals applied to solids
|
journal
|
May 2011 |
Van der Waals Density Functional for Layered Structures
|
journal
|
September 2003 |
Pseudopotentials for high-throughput DFT calculations
|
text
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January 2013 |
More accurate generalized gradient approximation for solids
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journal
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June 2006 |
Ferroelectric phase transitions and dynamical behavior in KNbO3/KTaO3 superlattices by molecular-dynamics simulation
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journal
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March 2002 |
Development of a bond-valence molecular-dynamics model for complex oxides
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journal
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February 2005 |
Local density and generalized gradient approximation studies of KNbO3 and BaTiO3
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journal
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February 1995 |
Electrical Behavior of Barium Titanatge Single Crystals at Low Temperatures
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journal
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August 1955 |
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
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journal
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August 2009 |