The present work is designed to discover new perovskite‐based materials, which are expected to show high mechanical stability during their applications, using machine learning …
We present a first-principles study of the low-temperature rhombohedral phase of BaTiO 3 using Hubbard-corrected density-functional theory. By employing density-functional …
U Eckstein, J Exner, AB Golob, K Ziberna, G Drazic… - Journal of …, 2022 - Elsevier
Room-temperature fabrication of functional ceramic films using powder aerosol deposition (AD) is important for practical applications. However, the as-processed ferroelectric films …
S Mellaerts, JW Seo, V Afanas' ev, M Houssa… - Physical Review …, 2022 - APS
Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. In this respect …
M Li, S Zhang, C Liu, X Zu, L Qiao, H Xiao - Science China Physics …, 2024 - Springer
Over the past century, ferroelectricity has offered exciting opportunities for fundamental research and device applications. However, most of the discovered excellent ferroelectrics …
Oxynitride perovskites of the type ABO2N have attracted considerable attention thanks to their potential ferroelectric behavior and tunable bandgap energy, making them ideal …
K Singh, S Acharya, DV Atkare - Ferroelectrics, 2005 - Taylor & Francis
Qualitative analysis of the factors governing variation in T c and P s of PbTiO3, KNbO3 and BaTiO3 members of ABO3 perovskite family considering the parameters like tolerance …
A Koleżyński, K Tkacz-Śmiech - Ferroelectrics, 2005 - Taylor & Francis
A band structure of barium titanate crystal has been calculated with the WIEN2k program, using FP LAPW method. A broad dispersion of the valence band (about 5 eV) and a narrow …
This work investigates the role of A-site chemical bonding in morphotropic phase boundary (MPB) compositions of PbTiO 3–BiFeO 3 solid solutions exhibiting high tetragonality. Ba …