144 citations · 174 across the 5 of their papers we have counts for
5 papers
Lattice-dynamics and in-plane antiferromagnetism in MnxZn1_xPS3 across the entire composition range
Robert Oliva, Esther Ritov, Faris Horani +5
Alloyed MnxZn1_xPS3 samples have been grown covering the whole compositional range and studied by means of Raman spectroscopy at temperatures covering from 4K up to 850K. Our resul…
ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training
Jon Lopez-Zorrilla, Xabier M. Aretxabaleta, Inwon Yue +3
In this work, we present ænet-PyTorch, a PyTorch-based implementation for training artificial neural network-based machine learning interatomic potentials. Developed as an extensio…
First principles investigation of the strain-mode coupling in srbi2nb2o9
Urko Petralanda, I. Etxebarria
The Aurivillius compounds SrBi2Nb2O9 (SBN) and SrBi2Ta2O9 (SBT) present at room temperature isomorphous ferroelectric structures that are stabilized by a complex interplay of three…
Structural instabilities and sequence of phase transitions in SrBiTaO and SrBiNbO from first principles and Monte Carlo simulations
Urko Petralanda, I. Etxebarria
Despite their structural similarities, SrBiTaO (SBT) and SrBiNbO (SBN) undergo a different sequence of phase transitions. The phase diagram of SBT as a func…
Multiple soft-mode vibrations of lead zirconate
J. Hlinka, T. Ostapchuk, E. Buixaderas +7
Polarized Raman, IR and time-domain THz spectroscopy of orthorhombic lead zirconate single crystals yielded a comprehensive picture of temperature-dependent quasiharmonic frequenci…