Stable antiferromagnetic graphone

被引：40

作者：

Boukhvalov, D. W. ^{[1
]}

机构：

[1] Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050047, Japan

来源：

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2010年 / 43卷 / 01期

关键词：

GRAPHENE;

D O I：

10.1016/j.physe.2010.07.015

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Density functional modeling of atomic structure and calculation of electronic structure of one-side one-sublattice functionalized graphene (graphone) are performed for hydrogen and fluorine adatoms. It is shown here that using fluorine for functionalization not only enhances stability of compound but also provides switch of magnetic ground state from ferro- to antiferromagnetic. Half-metallic ferromagnetic state in fluorine-based graphone is also discussed. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：199 / 201

页数：3

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