Effect of pressure on the crystal structure and the lattice parameters of BaO
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Use of Legendre transforms in chemical thermodynamics (IUPAC Technical Report)
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August 2001 |
Influence of external electric fields on oxygen vacancies at the anatase (101) surface
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August 2014 |
External Fields in the Self-Consistent Theory of Electronic States: A New Method for Direct Evaluation of Macroscopic and Microscopic Dielectric Response
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August 1983 |
Point Defects in Oxides: Tailoring Materials Through Defect Engineering
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August 2011 |
First-Principles Determination of Elastic Anisotropy and Wave Velocities of MgO at Lower Mantle Conditions
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November 1999 |
Maximally localized Wannier functions: Theory and applications
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October 2012 |
Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
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October 2003 |
Giant Electrocaloric Effect in Thin-Film PbZr0.95Ti0.05O3
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March 2006 |
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
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Controlling nanowire growth through electric field-induced deformation of the catalyst droplet
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July 2016 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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September 2009 |
Exciton Spectra of CaO and MgO
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June 1969 |
Compilation of the Static Dielectric Constant of Inorganic Solids
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April 1973 |
Finite Elastic Strain of Cubic Crystals
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June 1947 |
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October 2011 |
Maximally localized generalized Wannier functions for composite energy bands
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November 1997 |
Lattice vacancies in silicon film exposed to external electric field
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July 2013 |
Extending the Concept of Defect Chemistry from Semiconductor Physics to Electrochemistry
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February 2014 |
Phase Diagram of Water under an Applied Electric Field
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October 2011 |
Voltage-Controlled Topotactic Phase Transition in Thin-Film SrCoO x Monitored by In Situ X-ray Diffraction
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January 2016 |
Pseudopotentials periodic table: From H to Pu
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December 2014 |
Influence of defects on ferroelectric and electrocaloric properties of
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April 2016 |
Phonon structure in under finite electric fields: First-principles density functional approach
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July 2005 |
Universal Fabrication of 2D Electron Systems in Functional Oxides
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January 2016 |
Electron Transfer at Oxide Surfaces. The MgO Paradigm: from Defects to Ultrathin Films
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November 2012 |
Bulk electronic structure of SrTiO3: Experiment and theory
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December 2001 |
Static Dielectric Properties of Carbon Nanotubes from First Principles
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April 2006 |
Pseudopotentials for high-throughput DFT calculations
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January 2014 |
Linear response approach to the calculation of the effective interaction parameters in the method
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January 2005 |
Two-dimensional electron gas with universal subbands at the surface of SrTiO3
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January 2011 |
Resistive switching phenomena: A review of statistical physics approaches
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August 2015 |
Quasi-hydrostatic compression of magnesium oxide to 52 GPa: Implications for the pressure-volume-temperature equation of state
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January 2001 |
Electric dipole moments of low J states of H 2 O and D 2 O
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September 1973 |
Range, Magnitude, and Ultrafast Dynamics of Electric Fields at the Hydrated DNA Surface
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August 2016 |
A beginner's guide to the modern theory of polarization
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November 2012 |
Phonons and related crystal properties from density-functional perturbation theory
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July 2001 |
Equations of state of FeO and CaO
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September 1980 |
Logarithmic derivative reflectance spectra of BaO and SrO
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September 1979 |
Ab initio Molecular Dynamics in a Finite Homogeneous Electric Field
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September 2002 |
Special points for Brillouin-zone integrations
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June 1976 |
Static Dielectric Permittivity of Ice from First Principles
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December 2014 |
Vacancies and small polarons in
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August 2014 |
Strain-Induced Ferroelectricity in Simple Rocksalt Binary Oxides
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January 2010 |
Positive and negative electrocaloric effect in in the presence of defect dipoles
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September 2016 |
Magneto-ionic control of interfacial magnetism
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November 2014 |
First-principles calculations for point defects in solids
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March 2014 |
Condensed phase ionic polarizabilities from plane wave density functional theory calculations
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October 2006 |
Redox-Based Resistive Switching Memories - Nanoionic Mechanisms, Prospects, and Challenges
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July 2009 |
Variational Calculation of the Polarizability of an Electron Trapped by a Point Defect
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December 1970 |
The Dielectric Constant of Barium Oxide
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August 1951 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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Predicting point defect equilibria across oxide hetero-interfaces: model system of ZrO 2 /Cr 2 O 3
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January 2017 |
Defects in the alkaline earth oxides
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November 1968 |
Thermodynamic stability of binary oxides in contact with silicon
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and revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals
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In-crystal polarizability of the oxide ion (O2-)
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June 1985 |
Consolidation of Partially Stabilized in the Presence of a Noncontacting Electric Field
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May 2015 |
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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April 1990 |
Oxidation energies of transition metal oxides within the framework
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May 2006 |
The origin of ferroelectricity in Hf 1−x Zr x O 2 : A computational investigation and a surface energy model
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April 2015 |
Changes of the crystal structure and the lattice parameter of SrO at high pressure
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December 1973 |
Band gaps and electronic structure of alkaline-earth and post-transition-metal oxides
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June 2010 |
Voltage-Controlled Nonstoichiometry in Oxide Thin Films: Pr 0.1 Ce 0.9 O 2−δ Case Study
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October 2014 |
First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures
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October 2008 |
Electric displacement as the fundamental variable in electronic-structure calculations
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February 2009 |
Maximally localized Wannier functions for entangled energy bands
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December 2001 |
Anti-ferrodistortive-Like Oxygen-Octahedron Rotation Induced by the Oxygen Vacancy in Cubic SrTiO 3
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October 2012 |
Uncovering Two Competing Switching Mechanisms for Epitaxial and Ultrathin Strontium Titanate-Based Resistive Switching Bits
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October 2015 |
Giant Electrocaloric Effect in Thin-Film PbZr0.95Ti0.05O3.
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June 2006 |
Lead palladium titanate: A room temperature nanoscale multiferroic thin film
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February 2020 |
Thermodynamic Stability of Binary Oxides in Contact with Silicon
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January 1994 |
Controlling nanowire growth through electric field-induced deformation of the catalyst droplet
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January 2016 |
Thermodynamic Stability of Binary Oxides in Contact with Silicon
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January 1995 |
Electric displacement as the fundamental variable in electronic-structure calculations
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January 2008 |
Strain-induced ferroelectricity in simple rocksalt binary oxides
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January 2009 |
Maximally localized Wannier functions: Theory and applications
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January 2011 |
Pseudopotentials for high-throughput DFT calculations
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January 2013 |
Positive and negative electrocaloric effect in BaTiO$_3$ in the presence of defect dipoles
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January 2015 |
Maximally-localized Wannier functions for entangled energy bands
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January 2001 |