Surface magnetism of the carbon foam: An ab-initio theoretical study

By means of ab-initio calculations, we study the surface magnetism of carbon foam, a carbon allotrope constructed by both the sp2 and sp3 hybridized carbon atoms. It is found that the sp3-terminated surface and sp2-terminated surface with hydrogen saturation (sp2H) have the antiferromagnetic and fer...

Full description

Saved in:
Bibliographic Details
Published in:Applied physics letters 2014-08, Vol.105 (6)
Main Authors: Yu, Guodong, Jiang, Liwei, Zheng, Yisong
Format: Article
Language:English
Subjects:
Allotropy
ANTIFERROMAGNETISM
Applied physics
CARBON
CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Cones
Electron spin
Electrons
Energy gap
FERMI LEVEL
Ferromagnetism
FOAMS
HYDROGEN
Magnetic moments
Magnetism
NUCLEAR MAGNETIC MOMENTS
PHASE TRANSFORMATIONS
Phase transitions
SPIN ORIENTATION
SURFACES
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:By means of ab-initio calculations, we study the surface magnetism of carbon foam, a carbon allotrope constructed by both the sp2 and sp3 hybridized carbon atoms. It is found that the sp3-terminated surface and sp2-terminated surface with hydrogen saturation (sp2H) have the antiferromagnetic and ferromagnetic ground states, respectively. And the corresponding phase transition temperatures of these two surfaces are estimated to exceed 100 K. In addition, the magnetic moment of the sp2H surface can be effectively modulated by strain. More interestingly, at the level of generalized gradient approximation, as the lattice are stretched, a bulk bandgap will open. And in such a bandgap, the sp2H surface states can form spin polarized Dirac cones at K(K′) point. Thus, in the vicinity of the Fermi level, only the electron with a specific spin behaves like a Dirac Fermion.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.4892916