Prosandeev S, Wang Dawei, Akbarzadeh A R, Dkhil B, Bellaiche L
Physics Department and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA and Physics Department and Institute of Physics, South Federal University, Rostov on Don, Russia.
Electronic Materials Research Laboratory, Key Laboratory of the Ministry of Education and International Center for Dielectric Research, Xi'an Jiaotong University, Xi'an 710049, China.
Phys Rev Lett. 2013 May 17;110(20):207601. doi: 10.1103/PhysRevLett.110.207601. Epub 2013 May 16.
A first-principles-based effective Hamiltonian is used to investigate low-temperature properties of Ba(Zr,Ti)O(3) relaxor ferroelectrics under an increasing dc electric field. This system progressively develops an electric polarization that is highly nonlinear with the dc field. This development leads to a maximum of the static dielectric response at a critical field, E(th), and involves four different field regimes. Each of these regimes is associated with its own behavior of polar nanoregions, such as shrinking, flipping, and elongation of dipoles or change in morphology. The clusters propagating inside the whole sample, with dipoles being parallel to the field direction, begin to form at precisely the E(th) critical field. Such a result, and further analysis we perform, therefore, reveal that field-induced percolation of polar nanoregions is the driving mechanism for the transition from the relaxor to ferroelectric state.
基于第一性原理的有效哈密顿量被用于研究在不断增加的直流电场下Ba(Zr,Ti)O(3)弛豫铁电体的低温特性。该系统逐渐产生一种与直流电场高度非线性的电极化。这种发展导致在临界场E(th)处静态介电响应达到最大值,并且涉及四种不同的场区域。这些区域中的每一个都与极性纳米区域自身的行为相关联,例如偶极子的收缩、翻转和伸长或形态变化。在整个样品内部传播且偶极子与场方向平行的团簇恰好在E(th)临界场处开始形成。因此,这样的结果以及我们进行的进一步分析表明,极性纳米区域的场致渗流是从弛豫态到铁电态转变的驱动机制。