Magnetic, electronic, and optical properties of double perovskite Bi2FeMnO6

Abstract

Double perovskite Bi2FeMnO6 is a potential candidate for the single-phase multiferroic system. In this work, we study the magnetic, electronic, and optical properties in BFMO by performing the density functional theory calculations and experimental measurements of magnetic moment. We also demonstrate the strain dependence of magnetization. More importantly, our calculations of electronic and optical properties reveal that the onsite local correlation on Mn and Fe sites is critical to the gap opening in BFMO, which is a prerequisite condition for the ferroelectric ordering. Finally, we calculate the x-ray magnetic circular dichroism spectra of Fe and Mn ions (L2 and L3 edges) in BFMO.

A high-throughput data analysis and materials discovery tool for strongly correlated materials

“…In the recent years, there has been considerable theoretical and experimental interest in creating layered compounds and superstructures by design due to their enormous potential for achieving various emergent functionalities (e.g., superconductivity, 23,24 multiferroics 25,26 ). A common strategy employed in synthesis efforts is to attempt the creation of a new superstructure with desired electronic properties by overlaying two or more compounds with different chemical compositions but similar crystal symmetries.…”

Electronic, magnetic, optical and thermoelectric properties of Ca2Cr1−xNixOsO6 double perovskites

“…Bi 2 FeMnO 6 is one such example with a band gap of $0.8 eV that has been predicted as a suitable material for optical devices. 43 Recently, Morrow et al 44 synthesized a new DP material Ca 2 CrOsO 6 whose T C was measured to be much higher than room temperature, i.e., 490 K. This study further reports that the atomic sites occupied by the two transition metals, i.e., Cr and Os cations, are in the ratios of 76% and 24%, respectively, which is a signature of antisite disorder in the system. Here, we are particularly motivated to explore the electronic and related properties of Ca 2 CrOsO 6 due to (i) its high T C above room temperature, (ii) the FiM insulating state, and (iii) the small effective magnetic moment.…”

Controlling Magnetic Properties at BiFe1−xMnxO3/La2/3Ca1/3MnO3 Interfaces by Tuning the Spatial Distribution of Interfacial Electronic States

“…Figure a shows that the saturated magnetic hysteresis loops of the BFMO/LCMO heterostructure at 10 K were obtained after field cooling (FC) from room temperature in an in‐plane field of 3 kOe. All the pure BFMO with canted antiferromagnetic (AFM) ordering show weak ferromagnetic properties and the magnetism of BFMO is influenced by many factors including oxygen vacancies, strain, thickness, phase change, etc., as shown in Figure S1 (Supporting Information) . When materials with FM–AFM interfaces are cooled in an external field, exchange anisotropy is induced in the FM material.…”