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A trigonal planar network in hydrogenated epitaxial graphene: a ferromagnetic semiconductor

机译:氢化外延石墨烯中的三角平面网络:铁磁半导体

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Hydrogenated epitaxial graphene has distinctive electronic properties compared to the two-sided hydrogenated graphene referred to as graphane. Of particular interest is the experimentally observed room-temperature ferromagnetic semiconducting property, which has remained elusive to theoretical interpretation. Here, we present results of a density functional theory investigation into various hydrogenation patterns. Our results indicate that the stability of a given hydrogenation pattern is strongly influenced by the amount of sp2-hybridized bonding in the structures.' A hydrogenation pattern with a trigonal planar network is identified as an intrinsic ferromagnetic semiconductor, which is in very good conformity with experimental observations. Our results provide insight into the structural, electronic, and magnetic properties of hydrogenated epitaxial graphene.
机译:与称为石墨烷的双面氢化石墨烯相比,氢化外延石墨烯具有独特的电子性能。特别感兴趣的是实验观察到的室温铁磁半导体性质,该性质仍难以理解理论解释。在这里,我们介绍了密度泛函理论研究各种氢化模式的结果。我们的结果表明,给定氢化模式的稳定性受结构中sp2-杂化键数量的强烈影响。具有三角形平面网络的氢化模式被识别为本征铁磁半导体,与实验观察结果非常吻合。我们的结果提供了对氢化外延石墨烯的结构,电子和磁性的深入了解。

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