Jump to main content
Jump to site search

Issue 24, 2015
Previous Article Next Article

Electronic and magnetic properties of an AlN monolayer doped with first-row elements: a first-principles study

Author affiliations

Abstract

Two-dimensional (2D) magnetic materials are the focus of one of the most active areas of nano-materials research. However, most of them contain d electrons in the hosts or dopants which may lead to extrinsic magnetic behavior. Here we report a density functional study on the structural, electronic, and magnetic properties of an AlN monolayer (ML) doped with first-row atoms of X (X = Be, B, and C), which are free of d electrons. The calculations reveal that Be and C dopants, which substitute Al and N atoms respectively, can induce local spin moments, while B (for N) cannot lead to spin polarization in the AlN ML. More importantly, for Be doped AlN ML, a half-metallic ferromagnetism is observed, and the estimated Curie temperature is higher than room temperature. The long-range ferromagnetic coupling between doped Be atoms can be explained by a hole-mediated p–p interaction. Thus, our results provide a promising way toward 2D magnetic materials.

Graphical abstract: Electronic and magnetic properties of an AlN monolayer doped with first-row elements: a first-principles study

Back to tab navigation

Publication details

The article was received on 31 Oct 2014, accepted on 03 Feb 2015 and first published on 03 Feb 2015


Article type: Paper
DOI: 10.1039/C4RA13522A
RSC Adv., 2015,5, 18352-18358

  •   Request permissions

    Electronic and magnetic properties of an AlN monolayer doped with first-row elements: a first-principles study

    Y. Bai, K. Deng and E. Kan, RSC Adv., 2015, 5, 18352
    DOI: 10.1039/C4RA13522A

Search articles by author

Spotlight

Advertisements