From flexoelectricity to absolute deformation potentials: The case ofSrTiO3

Massimiliano Stengel
2015 Physical Review B  
Based on recent developments in the first-principles theory of flexoelectricity, we generalize the concept of absolute deformation potential to arbitrary nonpiezoelectric insulators and deformation fields. To demonstrate our formalism, we calculate the response of the band edges of SrTiO_3 to both dynamic (sound waves) and static (bending) mechanical loads, respectively at the bulk level and in a slab geometry. Our results have important implications for the understanding of
more » ... ted phenomena in crystalline insulators, formally unifying the description of band-structure and electrostatic effects.
doi:10.1103/physrevb.92.205115 fatcat:sd2vmfhwmzbtxn7g47wb47mcre