Magnetic i-MXene: a new class of multifunctional two-dimensional materials

TL;DR

This study uses density functional theory to explore magnetic properties of in-plane ordered MXenes, revealing their potential as multifunctional 2D materials for spintronics due to their tunable magnetism and transport properties.

Contribution

It introduces a new class of 2D magnetic materials, i-MXenes, demonstrating their tunable magnetic and transport properties for potential spintronic applications.

Findings

Robust 2D magnetism achieved by alloying nonmagnetic MXenes with magnetic transition metals.

Magnetic ground states and anisotropy can be manipulated by strain, indicating strong piezomagnetic effects.

i-MXenes exhibit large thermoelectric response, antiferromagnetic topological insulating behavior, and spin-gapless semiconducting properties.

Abstract

Based on density functional theory calculations, we investigated the two-dimensional in-plane ordered MXene (i-MXenes), focusing particularly on the magnetic properties. It is observed that robust two-dimensional magnetism can be achieved by alloying nonmagnetic MXene with magnetic transition metal atoms. Moreover, both the magnetic ground states and the magnetocrystalline anisotropy energy of the i-MXenes can be effectively manipulated by strain, indicating strong piezomagnetic effect. Further studies on the transport properties reveal that i-MXenes provide an interesting playground to realize large thermoelectric response, antiferromagnetic topological insulator, and spin-gapless semiconductors. Thus, i-MXenes are a new class of multifunctional two-dimensional magnetic materials which are promising for future spintronic applications.