116 citations · 153 across the 11 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 1 cited
First-Principles Study of the Ferroelectric Properties of SrTaON/SrTiO Interfaces
Ruby C. Bastidas Briceño, Victoria I. Fernández, Eitel Peltzer y Blancá +1
First-principles calculations based on density-functional theory in the pseudo-potential approach have been performed for the total energy, crystal structure and cell polarization…
cond-mat.str-el2019★ 3 cited
Optimizing configurations for determining the magnetic model based on ab-initio calculations
J. M. Matera, C. A. Lamas, L. A. Errico +2
In this paper, it is presented a novel strategy to optimize the determination of magnetic couplings by using ab-initio calculations of the energy. This approach allows determining…