Publications (30)
First-principles prediction of half-Heusler half-metals above room temperature
Muhammad Atif Sattar, S. Aftab Ahmad, Fayyaz Hussain +1
Comment on "High-pressure phases of group-II difluorides: Polymorphism and superionicity"
Claudio Cazorla, Daniel Errandonea
Simulation and understanding of quantum crystals
Claudio Cazorla, Jordi Boronat
First-Principles Modeling of Pt/LaAlO3/SrTiO3 Capacitors Under an External Bias Potential
Claudio Cazorla, Massimiliano Stengel
Electrostatic engineering of strained ferroelectric perovskites from first-principles
Claudio Cazorla, Massimiliano Stengel
Ab initio study of compressed Ar(H2)2: structural stability and anomalous melting
Claudio Cazorla, Daniel Errandonea
First-principles modeling of three-body interactions in highly compressed solid helium
Claudio Cazorla, Jordi Boronat
Superionicity and Polymorphism in Calcium Fluoride at High Pressure
Claudio Cazorla, Daniel Errandonea
Influence of lattice dynamics on lithium-ion conductivity: A first-principles study
Arun K. Sagotra, Dewei Chu, Claudio Cazorla
The Role of Density Functional Theory Methods in the Prediction of Nanostructured Gas-Adsorbent Materials
Claudio Cazorla
Prediction of giant mechanocaloric effects in fluorite-structured superionic materials
Claudio Cazorla, Daniel Errandonea
Revisiting the zero-temperature phase diagram of stoichiometric SrCoO3 with first-principles methods
Pablo Rivero, Claudio Cazorla
The Limit of Mechanical Stability in Quantum Crystals: A Diffusion Monte Carlo Study of Solid 4He
Claudio Cazorla, Jordi Boronat
Giant Direct and Inverse Electrocaloric Effects in Multiferroic Thin Films
Claudio Cazorla, Jorge Iniguez
First-Principles Modeling of Quantum Nuclear Effects and Atomic Interactions in Solid 4He at High Pressure
Claudio Cazorla, Jordi Boronat
Supporting Material for: Superionicity and Polymorphism in Calcium Fluoride at High Pressure
Claudio Cazorla, Daniel Errandonea
In the search of new electrocaloric materials: Fast ion conductors
Claudio Cazorla
Novel Mechanocaloric Materials for Solid-State Cooling Applications
Claudio Cazorla
Elastic Constants of Incommensurate Solid 4He
Claudio Cazorla, Yaroslav Lutsyshyn, Jordi Boronat
Insights into the Phase Diagram of Bismuth Ferrite from Quasi-Harmonic Free Energy Calculations
Claudio Cazorla, Jorge Ãñiguez
The high-pressure high-temperature phase diagram of calcium fluoride from classical atomistic simulations
Claudio Cazorla, Daniel Errandonea
Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide
Claudio Cazorla, Oswaldo Dieguez, Jorge Iniguez
Ab initio design of charge-mismatched ferroelectric superlattices
Claudio Cazorla, Massimiliano Stengel
Lattice effects on the formation of oxygen vacancies in perovskite thin films
Claudio Cazorla
Oxygen-vacancy induced magnetic phase transitions in multiferroic thin films
Cesar Menendez, Dewei Chu, Claudio Cazorla
Accuracy of Density Functional Theory in Prediction of Carbon Dioxide Adsorbent Materials
Claudio Cazorla, Stephen A. Shevlin
Possible superfluidity of molecular hydrogen in a two-dimensional crystal phase of sodium
Claudio Cazorla, Jordi Boronat
Constraints on the phase diagram of molybdenum from first-principles free-energy calculations
Claudio Cazorla, Dario Alf`e, Michael J. Gillan
Mixing thermodynamics and photocatalytic properties of GaP-ZnS solid solutions
Joel Shenoy, Judy N. Hart, Ricardo Grau-Crespo +2
Polymorphism of Bulk Boron Nitride
Claudio Cazorla, Tim Gould