@inproceedings{f5e2387fd1a1468c9b1275a17ee0decd,
title = "Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices",
abstract = "Perovskite materials are crucial in a variety of important technological applications. Using quantum-mechanical simulations and accurate molecular dynamics models, we have computationally investigated ferroelectric materials for applications in computer memory, piezoelectrics and photovoltaics. By tuning the applied electric pulses' shaping and delay separation, we find the lower limit for tetragonal PbTiO3 polarization switching time period is on the scale of 10 pico seconds. Structural and electronic properties of a semiconductor non-oxide perovskite BaZrS3 are investigated in detail. We also microscopically model relax or behavior demonstrated by the next generation piezoelectric devices, not only reproducing dielectric response but also revealing the significance of local crystal chemistry.",
keywords = "DFT, Perovskite, Piezoelectricity, Storage Media, solar energy conversion",
author = "Tingting Qi and Ilya Grinberg and Bennett, {Joseph W.} and Shin, {Young Han} and Rappe, {Andrew M.} and Yeh, {Ka Lo} and Nelson, {Keith A.}",
year = "2011",
doi = "10.1109/HPCMP-UGC.2010.19",
language = "الإنجليزيّة",
isbn = "9780769543925",
series = "Proceedings - 2010 DoD High Performance Computing Modernization Program Users Group Conference, HPCMP UGC 2010",
pages = "249--258",
booktitle = "Proceedings - 2010 DoD High Performance Computing Modernization Program Users Group Conference, HPCMP UGC 2010",
note = "2010 DoD High Performance Computing Modernization Program Users Group Conference, HPCMP UGC 2010 ; Conference date: 14-06-2010 Through 17-06-2010",
}