Novel electronic and magnetic properties in AlN nanoribbons: First-principles prediction
1 School of Physics and Technology, University of Jinan Jinan - Shandong, 250022, PRC
2 School of Physics, State Key laboratory of crystal materials, Shandong University Jinan, Shandong, 250100, PRC
Received: 16 May 2013
Accepted: 5 August 2013
Based on first-principles calculations, we investigate the electronic structure and magnetic properties of bare and hydrogen-terminated AlN nanoribbons (NRs). When both Al and N edges are terminated by hydrogen, it exhibits a semiconducting behavior with a direct band gap of 2.76 eV. The H-terminations at the Al edge lead to a ferromagnetic (FM) ground state with a net magnetic moment of per unit cell, while the H-terminated N edge state exhibits an antiferromagnetic property. For bare AlNNRs, the half-metallic, semiconducting, or metallic characters are all obtained, dependent on spin alignments of Al and N edge states. These predicted diverse and tunable electronic properties endow AlNNRs potential applications in electronics and spintronics.
PACS: 73.22.-f – Electronic structure of nanoscale materials and related systems / 71.15.-m – Methods of electronic structure calculations
© EPLA, 2013