Theoretical study on spintronic and optical property prediction of doped magnetic Borophene

TL;DR

This study uses first-principles calculations to explore the electronic, magnetic, and optical properties of doped borophene, highlighting its potential for spintronic and optoelectronic applications, especially with lithium doping.

Contribution

It provides a comprehensive theoretical analysis of doped borophene's properties, identifying lithium-doped borophene as a promising spintronic material.

Findings

Doped borophene exhibits good dynamical and thermal stability.

Lithium doping enhances spintronic properties.

Optical absorption peaks are observed along the in-plane direction.

Abstract

Two dimensional materials are attracting new research for optoelectronics and spintronics due to their unique physical properties. A wide range of emerging spintronic devices are achieved from parent and doped two dimensional materials. First-principles electronic structure calculations of a two-dimensional monolayer of borophene in its P6/mmm form is explored in this study. The electronic, magnetic, and optical properties of doped borophene are analyzed for doping with lithium, sodium, and magnesium. Density functional theory calculations advocate their good dynamical and thermal stability. Spin-polarized electronic properties of these materials are observed to be useful for predicting new spintronic materials. Additionally optical analysis exhibits the absorption peaks in monolayers along the in-plane direction. These properties of doped magnetic borophene suggest the material to be a suitable candidate for designing optoelectronic devices. The most competent spintronic material among three different doped borophenes is lithium doping that can imply a promising avenue for the fast-growing electronics industry.