First-Principles Calculations of Magnetic Moment Modulation of 3d Transition Metal Atoms Encapsulated in C60/C70 Cages on Si(100) Surfaces: Implications for Spintronic Devices
- 12 November 2021
- journal article
- research article
- Published by American Chemical Society (ACS) in ACS Applied Nano Materials
- Vol. 4 (11) , 12356-12364
Abstract
No abstract availableKeywords
This publication has 52 references indexed in Scilit:
- A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuThe Journal of Chemical Physics, 2010
- Adsorption of N@C60 on Si(100)Surface Science, 2009
- Magnetism of the endohedral metallofullerenes and the corresponding nanoscale peapods: Synchrotron soft x-ray magnetic circular dichroism and density-functional theory calculationsPhysical Review B, 2007
- Improved grid‐based algorithm for Bader charge allocationJournal of Computational Chemistry, 2007
- Local magnetism in rare-earth metals encapsulated in fullerenesPhysical Review B, 2004
- Magnetic Properties of Heavy Rare-Earth Metallofullerenes M@C82 (M = Gd, Tb, Dy, Ho, and Er)The Journal of Physical Chemistry B, 2000
- Magnetic properties of rare-earth metallofullerenesThe Journal of Physical Chemistry, 1995
- Projector augmented-wave methodPhysical Review B, 1994
- Hybrid Ferromagnetic-Semiconductor StructureScience, 1990
- Special points for Brillouin-zone integrationsPhysical Review B, 1976