二维原子晶体中的磁性质.doc

二维原子晶体中的磁性质 阚二军1,* 1南京理工大学应用物理系，， *Email: ekan@mail.njust.edu.cn 采用第一性原理的研究方法，我们研究了二维原子晶体中一些有趣的磁现象。对于具有完整结构的二维原子晶体来说，我们发现通过化学键挑选的方法，可以实现单面氟化来获取磁性。此外，我们还发现在这些单面氟化或者氢化的材料中，出现了比较强的磁电耦合效应。其重要性在于，对于半导体性质的材料很难出现磁电耦合。此外，我们还研究了在二维原子中如何产生具有较高磁各项异性的方法。 关键词：原子晶体，磁性质，第一性原理计算 Magnetism in two-dimensional atomic crystals Erjun Kan1,* 1Department of Applied Physics, Nanjing university of science and technology, Nanjing, Jiangsu, 210094 Email: ekan@mail.njsut.edu.cn Using first-principles calculations, we show some interesting magnetic behaviors in two-dimensional atomic crystals. For pristine atomic crystals, we found that the magnetic ordering can be induced by selective fluorization. Moreover, we also explored that these fluorizated or hydrogenated atomic crystals have magnetoelectric ME effect, which is normally absent in semiconductors. In the last, we will show the magnetic anisotropy studies in these atomic crystals. Keywords: Atomic crystals, Magnetism, First-principles calculations.