Generalized Gradient Approximation Made Simple
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October 1996 |
Similar local order in disordered fluorite and aperiodic pyrochlore structures
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February 2018 |
Structure of Spinel
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December 1999 |
Neutron total scattering study of the δ and β phases of Bi2O3
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January 2009 |
Near-edge X-ray Absorption Fine Structure Study of Disordering in Gd 2 (Ti 1 - y Zr y ) 2 O 7 Pyrochlores
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February 2005 |
Mixed Transition-Metal Oxides: Design, Synthesis, and Energy-Related Applications
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January 2014 |
The Principles Determining the Structure of Complex Ionic Crystals
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April 1929 |
Defects and diffusion in pyrochlore structured oxides
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October 1998 |
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
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September 1976 |
Complex ceramic structures. I. Weberites
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May 2009 |
Doping in III–V Semiconductors
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October 1994 |
Performance calculations of the X-ray powder diffraction beamline at NSLS-II
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January 2013 |
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions
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March 2013 |
Diffraction theory for diffuse scattering by correlated microdomains in materials with several atoms per unit cell
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October 1990 |
Neutron total scattering method: simultaneous determination of long-range and short-range order in disordered materials [Neutron total scattering method: simultaneous determination of long-range and short-range order in disordered materials]
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March 2002 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
First-principles calculation of defect-formation energies in the Y 2 ( Ti , Sn , Zr ) 2 O 7 pyrochlore
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August 2004 |
GSAS-II : the genesis of a modern open-source all purpose crystallography software package
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March 2013 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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January 1998 |
The Sizes of ions and the Structure of Ionic Crystals
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March 1927 |
Phase transformations in Ln 2 O 3 materials irradiated with swift heavy ions
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November 2015 |
Processing, Structure, Properties, and Applications of PZT Thin Films
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December 2007 |
Opposite correlations between cation disordering and amorphization resistance in spinels versus pyrochlores
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October 2015 |
Electronic properties of lanthanide oxides from the G W perspective
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September 2012 |
Radiation Tolerance of Complex Oxides
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August 2000 |
Pyrochlore to Fluorite Transition: The Y 2 (Ti 1– x Zr x ) 2 O 7 (0.0 ≤ x ≤ 1.0) System
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November 2012 |
Thermodynamics of solid electrolytes and related oxide ceramics based on the fluorite structure
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January 2010 |
Composition dependent order-disorder transition in Nd Zr1−O2−0.5 pyrochlores: A combined structural, calorimetric and ab initio modeling study
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February 2017 |
Piezoelectric Ceramics
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November 1958 |
Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
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January 2005 |
Probing disorder in isometric pyrochlore and related complex oxides
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February 2016 |
Performance of DFT+ U method for prediction of structural and thermodynamic parameters of monazite-type ceramics
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April 2014 |
Energetics of defects formation and oxygen migration in pyrochlore compounds from first principles calculations
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July 2018 |
Local structure of the vacancy disordered fluorite Yb3TaO7 from neutron total scattering
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January 2013 |
Disorder in Pyrochlore Oxides
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August 2000 |
Fast-Ion Conducting Y2(Zr Ti1-)2O7 Pyrochlores: Neutron Rietveld Analysis of Disorder Induced by Zr Substitution
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June 1995 |
Defect structures and migration mechanisms in oxide pyrochlores
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September 1985 |
Special points for Brillouin-zone integrations
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June 1976 |
Inversion in Mg 1– x Ni x Al 2 O 4 Spinel: New Insight into Local Structure
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July 2017 |
Phase Stability and Pressure Dependence of Defect Formation in Gd 2 Ti 2 O 7 and Gd 2 Zr 2 O 7 Pyrochlores
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January 2008 |
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
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September 2012 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Defect formation energies in A 2 B 2 O 7 pyrochlores
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October 2015 |
Vortex confinement by columnar defects in YBa 2 Cu 3 O 7 crystals: Enhanced pinning at high fields and temperatures
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July 1991 |
RMCProfile: reverse Monte Carlo for polycrystalline materials
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July 2007 |
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
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July 2007 |
Influence of short-range and long-range order on the evolution of the morphotropic phase boundary in Pb ( Zr 1 − x Ti x ) O 3
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November 2004 |
Thermodynamic and structural evolution of Dy2Ti2O7 pyrochlore after swift heavy ion irradiation
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February 2018 |
Oxide pyrochlores — A review
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January 1983 |
Advanced characterization technique for mechanochemically synthesized materials: neutron total scattering analysis
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March 2018 |
The crystallography of correlated disorder
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May 2015 |
The Limited Predictive Power of the Pauling Rules
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March 2020 |
Spin Ice State in Frustrated Magnetic Pyrochlore Materials
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November 2001 |
Nuclear waste disposal—pyrochlore (A2B2O7): Nuclear waste form for the immobilization of plutonium and “minor” actinides
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June 2004 |
The missing boundary in the phase diagram of PbZr1−xTixO3
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October 2014 |
Enhanced ionic conductivity in pyrochlore and fluorite mixed phase yttrium-doped lanthanum zirconate
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January 2015 |