Investigating the Optical, Magnetic, and Mechanical Properties of La₂NiMnO₆ via Sr-Eu Co-Doping 

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ABSTRACT

The study investigates the effect on properties of La₂NiMn0₆ (LNMO) by doping with Co-dopants, Sr-Eu at A-site respectively. The exploration is done by using Density Functional Theory (DFT) in combination with LDA (Local Density Approximation) and Hubbard’s Correction (LDA+U). On comprehensive analysis we show how these dopants influence the properties like optical, magnetic, mechanical, electrical and spintronic characteristics of LNMO.  The research reveals the use of dopants modifies the electronic structure of LNMO and the alterations improved the materials dielectric properties which are important for the applications requiring high dielectric constant. Additionally, the doping resulted an improvement in the optical conductivity, improving the features of light absorption and photoconductivity efficiently highly suitable for optoelectronics devices, where light management is essentially in operational process. With related to magnetic properties the doping by Sr-Eu showed an enhancement in properties regarding to spintronics where control of spin is mandatory. The improvement in both the properties (electrical & magnetic) are considerable parameters in energy storage devices in determining its efficiency and effectivity. In addition to it the mechanical properties show resilience and stability while doping by Sr-Eu notable in determining the longevity and durability of devices respectively. On estimation this paper focus on potentiality in technology with wider applications in spintronics, optoelectronics and energy storage devices respectively. The current study and findings provide new ways of synthesizing the materials, providing new alternative paths for the development of exotic materials of tailored functionalities with future prospects in consideration.

Significance of the study:

The Sr-Eu co-doping of LNMO markedly improves its electronic structure, enhancing dielectric constant, optical conductivity, and magnetic properties. These improvements position LNMO as a promising material for advanced applications in spintronics, optoelectronics, and energy storage. The enhanced dielectric properties are crucial for high-capacitance devices, while the improved optical and magnetic characteristics benefit optoelectronic devices and spintronic applications, respectively. The material’s mechanical stability ensures its reliability and longevity in practical use.

Summary of the study:

This study examines the effects of Sr-Eu co-doping on the optical, magnetic, and mechanical properties of La₂NiMnO₆ (LNMO) using Density Functional Theory (DFT) with Local Density Approximation (LDA) and Hubbard’s Correction (LDA+U). The co-doping significantly enhances LNMO’s dielectric properties, optical conductivity, and magnetic characteristics, making it suitable for applications in spintronics, optoelectronics, and energy storage devices. The mechanical resilience of the doped material further supports its durability in technological applications.