First-principles study on the elastic, electronic and photocatalytic properties of multiferroic material InFeO3 under strain

The elastic and photocatalytic properties of multiferroic material InFeO3 under strain are calculated through density functional theory. The calculated results indicate that the intrinsic InFeO3 and the strained InFeO3 meet the mechanical stability conditions and hold a relatively larger elastic coefficient than popular multiferroic material BiFeO3. The calculated bandgap and band edge of InFeO3 under tensile strain show that InFeO3 could be a high-efficiency photocatalytic hydrogen production material. InFeO3 under tensile strain holds the ability of photocatalytic water splitting to produce hydrogen with excellent ferroelectric, mechanical properties and absorption of visible light.

A CHEMICAL ROUTE TO THE SYNTHESIS OF Bi1-xMgxFeO3 (x=0.1 and x=0.07) NANOPARTICLE WITH ENHANCED ELECTRICAL PROPERTIES AS MULTIFERROIC MATERIAL

Bismuth ferrite (BiFeO3) is one of multiferroic material group, but it is difficult to produce BiFeO3 in single phase as multiferroic material because it occurs leakage of current arising from non stoichiometric. So, to minimize it, it has already been engineering processed to synthesis BiFeO3 doped by Mg to produce Bi0.9Mg0.1FeO3 and Bi0.93Mg0.07FeO3. It used sol-gel method to produce the ceramics. The result of TGA/DTA(Thermo Gravimetric Analysis/Differential Thermal Analysis) test shows that the temperature of calcination is about of 150 and 175oC and temperature of sintering is about of 650oC. Characterization of the powder has already been done by using X-Ray Diffraction (XRD) test and electrical properties test. The results of XRD test show that the powder of Bi0.9Mg0.1FeO3has minimum impurities with total oxide of 6.9% (bismite 3.5% and silenite 3.4%) at calcination temperature of 175oC for 4 hours and sintering at 650oC for 6 hours. Meanwhile at same parameter, Bi0.93Mg0.07FeO3 has more oxide phases with total oxide of 14.5% which consists of silenite (2.5%) and Bi2O4 (12%). Presence of oxide phases could cause leakage of current decreasing electrical properties. The values of electrical saturation polarization for ceramic having minimum total oxide (Bi0.9Mg0.1FeO3) is higher than ceramic having more oxide (Bi0.93Mg0.07FeO3). The value of electric saturation polarization for Bi0.9Mg0.1FeO3 is of 0.26 kv/cm and for Bi0.93Mg0.07FeO3 is of 0.11 kV/cm.

Prediction of two-dimensional antiferromagnetic ferroelasticity in an AgF2 monolayer

Single-layer AgF2 is investigated as a multiferroic material with ferroelasticity and magnetism. A strain-driven 120° variant switching is achieved in AgF2 monolayer.

Ferroelectricity and multiferroicity in two-dimensional Sc2P2Se6 and ScCrP2Se6 monolayers

From first-principles calculations, a ferroelectric material Sc2P2Se6 monolayer and a multiferroic material ScCrP2Se6 monolayer with tunable ferroelectricity and magnetism are predicted.