Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, UK.
J Phys Condens Matter. 2010 Mar 24;22(11):112201. doi: 10.1088/0953-8984/22/11/112201. Epub 2010 Mar 5.
We present ab initio calculations of the longitudinal flexoelectricity for BaTiO(3) and SrTiO(3) using a direct approach. The calculated value for SrTiO(3) agrees with recently reported measurements. For BaTiO(3), however, the theoretical values are smaller than the measured ones; possible reasons for the discrepancy are discussed.
我们使用直接方法对 BaTiO(3) 和 SrTiO(3) 的纵向挠曲电系数进行了从头算计算。 SrTiO(3) 的计算值与最近报道的测量值相符。然而,对于 BaTiO(3,理论值小于测量值;讨论了产生差异的可能原因。