161 citations · 1k across the 54 of their papers we have counts for
Showing 2011 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2011★ 20 cited
First-Principles Modeling of Pt/LaAlO3/SrTiO3 Capacitors Under an External Bias Potential
Claudio Cazorla, Massimiliano Stengel
We study the electrical properties of Pt/LaAlO3/SrTiO3 capacitors under the action of an external bias potential, using first-principles simulations performed at constrained electr…
cond-mat.mtrl-sci2011★ 22 cited
Ab initio study of compressed Ar(H2)2: structural stability and anomalous melting
Claudio Cazorla, Daniel Errandonea
We study the structural stability and dynamical properties of Ar(H2)2 under pressure using first-principles and ab initio molecular dynamics techniques. At low temperatures, Ar(H2)…
cond-mat.mtrl-sci2011★ 66 cited
Constraints on the phase diagram of molybdenum from first-principles free-energy calculations
Claudio Cazorla, Dario Alf`e, Michael J. Gillan
We use first-principles techniques to re-examine the suggestion that transitions seen in high-P experiments on Mo are solid-solid transitions from the bcc structure to either the f…