Publication Date:
2018-09-05
Description:
Author(s): Alireza Akbarzadeh, Kumar Brajesh, Yousra Nahas, Naveen Kumar, Sergei Prokhorenko, Diptikanta Swain, Sergey Prosandeev, Raymond Walter, Igor Kornev, Jorge Íñiguez, Brahim Dkhil, Rajeev Ranjan, and L. Bellaiche We numerically investigate the phase diagram of the giant-piezoelectric ( 1 − x ) Ba ( Zr 0.2 Ti 0.8 ) O 3 − x ( Ba 0.7 Ca 0.3 ) TiO 3 system, treating the ions either as classical objects (via classical Monte Carlo or CMC simulations) or quantum mechanically (via path-integral quantum Monte Carlo or PI-QMC simulations). ... [Phys. Rev. B 98, 104101] Published Tue Sep 04, 2018
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics