Magnetism in doped two-dimensional honeycomb structures of III-V binary compounds

TL;DR

This study uses first-principles calculations to explore the magnetic properties of doped 2D honeycomb III-V compounds, revealing that magnetic dopants tend to stabilize the structures and analyzing their electronic characteristics.

Contribution

It provides a systematic first-principles analysis of magnetic doping effects in 2D honeycomb III-V compounds, highlighting the energetic favorability of magnetic states.

Findings

Magnetic dopants stabilize the structures energetically.

Detailed band structure and density of states analysis performed.

Potential applications discussed based on magnetic properties.

Abstract

Using first-principles plane-wave calculations systematic study of magnetic properties of doped two-dimensional honeycomb structures of III-V binary compounds have been conducted, either for magnetic or nonmagnetic dopants. Calculations show, that all cases where magnetic moment is non-zero are energetically more favorable. For such cases band structure and (partial) density of states were calculated and analyzed in detail. The possible applications of these structures were also discussed.