81 citations · 131 across the 5 of their papers we have counts for
5 papers
Theory-Guided Discovery of Pressure-Induced Transitions in Fast-Ion Conductor BaSnF4
Robin Turnbull, Zhang YingLong, Claudio Cazorla +6
Fast-ion conductors such as BaSnF4 are of significant interest for next-generation solid-state battery technologies due to their high ionic conductivity and chemical stability. How…
Prediction of giant mechanocaloric effects in fluorite-structured superionic materials
Claudio Cazorla, Daniel Errandonea
Mechanocaloric materials experience a change in temperature when a mechanical stress is adiabatically applied on them. Thus far, only ferroelectrics and superelastic metallic alloy…
Supporting Material for: Superionicity and Polymorphism in Calcium Fluoride at High Pressure
Claudio Cazorla, Daniel Errandonea
In this supplemental document we explain the details of our ab initio density functional theory calculations and crystal structure searches performed in CaF2 under pressure. Also w…
Superionicity and Polymorphism in Calcium Fluoride at High Pressure
Claudio Cazorla, Daniel Errandonea
We present a combined experimental and computational first-principles study of the superionic and structural properties of CaF2 at high P-T conditions. We observe an anomalous supe…
The high-pressure high-temperature phase diagram of calcium fluoride from classical atomistic simulations
Claudio Cazorla, Daniel Errandonea
We study the phase diagram of calcium fluoride (CaF2) under pressure using classical molecular dynamic simulations performed with a simple pairwise interatomic potential of the Bor…