Magnetic Structure of Bulk GdMnO3: Influence of Strain

Abstract

Internal structural distortions are of great interest in the determination of electronic and magnetic properties of the strong correlated rare earth manganites. When combined with external structural modifications like uniaxial or biaxial strains, structural distortions can lead to the emergence of new magnetic ground states. This realization is seemingly more probable with the low‐band‐width manganite GdMnO3 on the grounds that it is located in the magnetoelectric phase diagram of orthorhombic rare earth manganites between the A‐type antiferromagnetic (AFM) order and the cycloidal spin orders. Herein, a thorough analysis of the magnetic structure of GdMnO3 based on the density functional theory connected with a classical Heisenberg model together with Monte Carlo calculations is presented. It is found whether a compressive uniaxial strain along the c direction or biaxial strain on the ab plane favors a ferromagnetic (FM) ground state over the AFM one. On the contrary, a tensile strain also on the ab plane is likely to stabilize the E‐type AFM order.