Issue 27, 2016

High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes

Abstract

Searching for two-dimensional (2D) materials with room-temperature magnetic order and high spin-polarization is essential for the development of next-generation nanospintronic devices. A new class of 2D magnetic materials with high Néel temperature, fully compensated antiferromagnetic order (zero magnetization) and completely spin-polarized semiconductivity is proposed for the first time. Based on the density functional theory calculations, we predict these properties for asymmetrically functionalized MXenes (Janus Cr2C) – Cr2CXX′ (X, X′ = H, F, Cl, Br, OH). The valence and conduction bands in these materials are made up of opposite spin channels and they can behave as bipolar magnetic semiconductors with zero magnetization. A Néel temperature as high as 400 K has been found for Cr2CFCl, Cr2CClBr, Cr2CHCl, Cr2CHF, and Cr2CFOH materials. Remarkably, the spin carrier orientation and induced transition from bipolar magnetic semiconductors to half-metal antiferromagnets can be easily controlled by electron or hole doping. The band gap of Janus MXenes can be effectively tuned by the selection of a pair of chemical elements/functional groups terminating the upper and the lower surfaces. The spin-polarized semiconductivity with zero magnetism is preserved when MXenes are put on the SiC(0001) support. The results presented herein open a new road towards the construction of 2D high-temperature spin-polarized materials with antiferromagnetism potentially suitable for spintronic applications.

Graphical abstract: High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes

Supplementary files

Article information

Article type
Paper
Submitted
29 Marts 2016
Accepted
09 Jūn. 2016
First published
10 Jūn. 2016

J. Mater. Chem. C, 2016,4, 6500-6509

High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes

J. He, P. Lyu, L. Z. Sun, Á. Morales García and P. Nachtigall, J. Mater. Chem. C, 2016, 4, 6500 DOI: 10.1039/C6TC01287F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements