The flexoelectricity of barium and strontium titanates from first principles

Jiawang Hong, G Catalan, J F Scott, E Artacho
2010 Journal of Physics: Condensed Matter  
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.
doi:10.1088/0953-8984/22/11/112201 pmid:21389458 fatcat:nggprgx7rfdd7lpxsgmcfngtge