95 citations · 434 across the 14 of their papers we have counts for
15 papers
Impact of Chemical Clustering on the Structural, Topological, and Functional Properties of Ba(ZrTi)O: An Atomistic Simulation Study
Matias Baldassin, Rodrigo Machado, Marcelo Sepliarsky +1
Barium zirconate titanate, Ba(ZrTi)O (BZT), is a leading lead-free candidate for high-performance electronic components due to its highly tunable ferroelectric-to-r…
Enhanced Photocurrent Response in Epitaxial 0.5PZT-0.5PFN Multiferroic Thin Films
Lucia Imhoff, Miguel A. Rengifo, Jose M. Caicedo Roque +4
The exploration of novel multiferroic materials with strong coupling between ferroelectric polarization and photovoltaic effects is crucial for next-generation optoelectronic devic…
Intertwined Swirling Polarization States in BaTiO with Embedded BaZrO Nanoregions
R. Machado, F. Di Rino, M. Sepliarsky +1
Ferroelectric materials embedded with dielectric inclusions offer a unique platform for exploring novel topological polar textures. Using first-principles-based atomistic simulatio…
A Local-Phase Framework for the BaTi_{1-x}Zr_xO_3$ Phase Diagram: From Ferroelectricity to Dipolar Glass
M. Sepliarsky, F. Aquistapace, F. Di Rino +2
We apply a first-principles-based atomistic model to investigate the BaTi(1-x)Zr(x)O3 phase diagram, focusing on both macroscopic and local structural changes. Our approach, which…
Enhancement of optical absorption in multiferroic (1-x)PZT-xPFN thin films: Experiments and first-principles analysis
L. Imhoff, M. B. Di Marco, C. Lavado +2
Multiferroic compounds have gained research attention in the field of ferroelectric photovoltaics due to the presence of transition-metal d states from magnetic ions, which tend to…
Effects of the antiferrodistortive instability on the structural behavior of BaZrO by atomistic simulations
M. Sepliarsky, R. Machado, S. Tinte +1
Recently, the possibility of a low-temperature non-cubic phase in BaZrO has generated engaging discussions about its true ground state and the consequences on its physical prop…