We investigated magnetoelasticity in the ${\text{Sr}}_2{\text{CrReO}}_6$ double perovskite by means of ab initio calculations within the framework of the density-functional theory. Under consideration were the epitaxial strains that appear in the ${\text{Sr}}_2{\text{CrReO}}_6$ films utilized in hybrid heterostructures with ferroelectric material. We demonstrated that the magnetic anisotropy is influenced by the first- and second-order magnetoelastic couplings, dominated by the Re contribution, in agreement with previous experimental results. A theoretical prediction for the respective linear magnetoelastic-coupling coefficients is given.

• Received 24 February 2010

DOI:https://doi.org/10.1103/PhysRevB.82.012410