Centre for Computational Molecular Science, Australian Institute for Bioengineering and Nanotechnology, University of Queensland, Queensland 4072, Brisbane, Australia.
Phys Rev Lett. 2012 May 11;108(19):197207. doi: 10.1103/PhysRevLett.108.197207.
Transition metal-free magnetism and half-metallicity recently has been the subject of intense research activity due to its potential in spintronics application. Here we, for the first time, demonstrate via density functional theory that the most recently experimentally realized graphitic carbon nitride (g-C4N3) displays a ferromagnetic ground state. Furthermore, this novel material is predicted to possess an intrinsic half-metallicity never reported to date. Our results highlight a new promising material toward realistic metal-free spintronics application.
由于在自旋电子学应用方面的潜力，无过渡金属磁性和半金属性最近成为了研究热点。在此，我们首次通过密度泛函理论证明，最近实验上实现的石墨相氮化碳（g-C4N3）呈现铁磁基态。此外，这种新型材料被预测具有内在的半金属性，这是迄今为止从未报道过的。我们的研究结果突出了一种新的有前途的无金属自旋电子学应用材料。
