Tunable magnetic states in hexagonal boron nitride sheets

Magnetism in two dimensional atomic sheets has attracted considerable interest as its existence could allow the development of electronic and spintronic devices. The existence of magnetism is not sufficient for devices, however, as states must be addressable and modifiable through the application of an external drive. We show that defects in hexagonal boron nitride present a strong interplay between the N-N distance in the edge and the magnetic moments of the defects. By stress-induced geometry modifications, we change the ground state magnetic moment of the defects. This control is made possible by the triangular shape of the defects as well as the strong spin localisation in the magnetic state.

[1]  Reinhold Schneider,et al.  Daubechies wavelets as a basis set for density functional pseudopotential calculations. , 2008, The Journal of chemical physics.

[2]  S. Roche,et al.  Inducing and optimizing magnetism in graphene nanomeshes , 2011, 1103.4188.

[3]  C. Jin,et al.  Fabrication of a freestanding boron nitride single layer and its defect assignments. , 2009, Physical review letters.

[4]  Stefan Goedecker,et al.  Efficient and accurate three-dimensional Poisson solver for surface problems. , 2007, The Journal of chemical physics.

[5]  Mehmet Topsakal,et al.  First-principles study of two- and one-dimensional honeycomb structures of boron nitride , 2008, 0812.4454.

[6]  Rose Amal,et al.  Dots versus antidots: computational exploration of structure, magnetism, and half-metallicity in boron-nitride nanostructures. , 2009, Journal of the American Chemical Society.

[7]  A. Krasheninnikov,et al.  Electron knock-on damage in hexagonal boron nitride monolayers , 2010 .

[8]  Markus Antonietti,et al.  Ionothermal synthesis of crystalline, condensed, graphitic carbon nitride. , 2008, Chemistry.

[9]  B. Gu,et al.  Edge stability of boron nitride nanoribbons and its application in designing hybrid BNC structures , 2011, Nano Research.

[10]  Matthias Krack,et al.  Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals , 2005 .

[11]  Christian Kisielowski,et al.  Atomically thin hexagonal boron nitride probed by ultrahigh-resolution transmission electron microscopy , 2009 .

[12]  BN white graphene with "colorful" edges: the energies and morphology. , 2011, Nano letters.

[13]  Jin Zou,et al.  Boron nitride nanotubes: Pronounced resistance to oxidation , 2004 .

[14]  Jannik C. Meyer,et al.  Selective sputtering and atomic resolution imaging of atomically thin boron nitride membranes. , 2009, Nano letters.

[15]  B. Sumpter,et al.  Boron nitride nanoribbons become metallic. , 2011, Nano letters.

[16]  H. Xiang,et al.  Enhancing magnetic vacancies in semiconductors by strain , 2012 .

[17]  J. Keinonen,et al.  Spin-half paramagnetism in graphene induced by point defects , 2011, Nature Physics.

[18]  E. Lieb,et al.  Two theorems on the Hubbard model. , 1989, Physical review letters.

[19]  K. Shepard,et al.  Boron nitride substrates for high-quality graphene electronics. , 2010, Nature nanotechnology.

[20]  A. Zettl,et al.  Vacancy growth and migration dynamics in atomically thin hexagonal boron nitride under electron beam irradiation , 2011 .

[21]  G. Seifert,et al.  Electron knock-on cross section of carbon and boron nitride nanotubes , 2007 .