Phase-transition character in (Ba0.50,Sr0.50)TiO3 nanodots from first principles

Journal Article
Bin-Omran, S. . 2016
رقم الإصدار السنوي: 
674
الصفحات: 
82-88
مستخلص المنشور: 

investigate the character of phase transitions in (Ba0.50,Sr0.50)TiO3 (BST50) nanodots under ideal shortcircuit<br />
(SC) and open-circuit (OC) electrical boundary conditions, and the corresponding properties are<br />
subsequently compared to the properties of bulk BST50. Our calculations indicate that the ferroelectric<br />
properties change dramatically when transitioning from 3D (bulk) to 0D (nanodot) systems under shortcircuit<br />
conditions. While BST bulk exhibits three first-order ferroelectric phase transitions, BST dot shows<br />
a single second-order ferroelectric phase transition. On the other hand, new insight into the character<br />
and signature of the phase transition associated with a toroid moment of polarization, which occurs in<br />
nanodots under open-circuit conditions, is provided.