English

Magnetic Multilayer Edges in Bernal-Stacked Hexagonal Boron Nitride

Materials Science 2020-10-28 v1

Abstract

Single-layer h\it{h}-BN is known to have edges with unique magnetism, however, in the commonly fabricated multilayer AA\text{AA}^{\prime}-h\it{h}-BN, edge relaxations occur that create interlayer bonds and eliminate the unpaired electrons at the edge. Recently, a robust method of growing the unconventional Bernal-stacked h\it{h}-BN (AB-h\it{h}-BN) has been reported. Here, we use theoretical approaches to investigate the nitrogen-terminated zigzag edges in AB-h\it{h}-BN that can be formed in a controlled fashion using a high-energy electron beam. We find that these "open" edges remain intact in bilayer and multilayer AB-h\it{h}-BN, enabling researchers potentially to investigate these edge states experimentally. We also investigate the thermodynamics of the spin configurations at the edge by constructing a lattice model that is based on parameters extracted from a set of first-principles calculations. We find that the edge spins in neighboring layers interact very weakly, resulting in a sequence of independent spin chains in multilayer samples. By solving this model using Monte Carlo simulations, we can determine nm-scale correlation lengths at liquid-N2_{2} temperatures and lower. At low temperatures, these edges may be utilized in magnetoresistance and spintronics applications.

Keywords

Cite

@article{arxiv.2007.15245,
  title  = {Magnetic Multilayer Edges in Bernal-Stacked Hexagonal Boron Nitride},
  author = {Mehmet Dogan and Marvin L. Cohen},
  journal= {arXiv preprint arXiv:2007.15245},
  year   = {2020}
}
R2 v1 2026-06-23T17:30:58.458Z