dc.contributor.author | SANVITO, STEFANO | en |
dc.date.accessioned | 2013-07-10T12:54:27Z | |
dc.date.available | 2013-07-10T12:54:27Z | |
dc.date.issued | 2012 | en |
dc.date.submitted | 2012 | en |
dc.identifier.citation | Aijun Du, Stefano Sanvito and Sean C. Smith, First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride, Physical Review Letters, 108, 19, 2012, 197207 | en |
dc.identifier.other | Y | en |
dc.identifier.uri | http://hdl.handle.net/2262/66693 | |
dc.description | PUBLISHED | en |
dc.description.abstract | 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. | en |
dc.description.sponsorship | We acknowledge generous grants of high-performance
computer time from the AIBN cluster computing facility at
The University of Queensland and the Australian Research
Council (LIEF Grant No. LE0882357: A Computational
Facility for Multiscale Modeling in Computational Bio and
Nanotechnology), Queensland Cyber Infrastructure
Foundation (QCIF), and the Australian Partnership for
Advanced Computing National Facility. A.D. also greatly
appreciates financial support of the Australian Research
Council under Discovery Project (DP110101239). S.S.
acknowledges Science Foundation of Ireland for financial
support (07/IN.1/I945). S.C.S. acknowledges support
from the Center for Nanophase Materials Sciences, which
is sponsored at the Oak Ridge National Laboratory by the
Scientific User Facilities Division, U.S. Department of
Energy | en |
dc.format.extent | 197207 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physical Review Letters | en |
dc.relation.ispartofseries | 108 | en |
dc.relation.ispartofseries | 19 | en |
dc.rights | Y | en |
dc.subject | metal-free spintronics application | en |
dc.subject.lcsh | metal-free spintronics application | en |
dc.title | First-Principles Prediction of Metal-Free Magnetism and Intrinsic Half-Metallicity in Graphitic Carbon Nitride | en |
dc.type | Journal Article | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/sanvitos | en |
dc.identifier.rssinternalid | 84358 | en |
dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevLett.108.197207 | en |
dc.subject.TCDTheme | Nanoscience & Materials | en |
dc.identifier.rssuri | http://link.aps.org/doi/10.1103/PhysRevLett.108.197207 | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | G20348 | en |