Theoretical prediction of two-dimensional CrOF sheet as a ferromagnetic semiconductor or a half-metal

TL;DR

This paper uses density functional theory to predict that a 2D CrOF sheet is an intrinsic ferromagnetic semiconductor with potential for spintronic applications, especially when hole-doped to become a half-metal.

Contribution

It provides a theoretical prediction of the electronic and magnetic properties of 2D CrOF, highlighting its potential as a ferromagnetic semiconductor and half-metal.

Findings

CrOF sheet is an intrinsic ferromagnetic semiconductor

Low cleavage energy suggests easy exfoliation from bulk

Hole doping increases Curie temperature to 410 K, turning it into a half-metal

Abstract

Two-dimensional chromium oxide fluoride CrOF sheet was studied based on density functional theory. The investigation indicates that the CrOF sheet is an intrinsic ferromagnetic semiconductor. The calculated low cleavage energy implies that the ferromagnetic semiconductor can be exfoliated from its bulk form. The corresponding Curie temperature is 150 K. In particular, the Curie temperature increases up to 410 K under hole doping and the CrOF sheet becomes a half-metal. The versatile electronic and magnetic properties indicate that the two-dimensional CrOF sheet can be a promising candidate for next-generation spintronic devices.