We identify Stoner ferromagnetism in fcc C60H(n) (n=odd) by using a local density approximation in the framework of the density functional theory. Hydrogen chemisorption on fullerenes creates quasilocalized π electrons on the fullerene surface, overlapping of their wave functions giving rise to a narrow half filled impurity band in the fcc C60H(n). The Stoner-type ferromagnetic exchange between the itinerant electrons leads to spin-split impurity bands. The magnetic moment per C60H(n) molecule is 1 μ(B) (for n=odd) or 0 (for n=even, including zero), only one of the hydrogens contributing to the spin-split states. Direct overlapping of the quasilocalized π-electron orbitals is essential for the ferromagnetism.
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http://dx.doi.org/10.1103/PhysRevLett.106.166402 | DOI Listing |
Acc Chem Res
January 2025
Faculty of Chemistry and Food Chemistry, TU Dresden, Bergstrasse 66c, 01069 Dresden, Germany.
ConspectusTriangulene (TRI) and its heterotriangulene (HT) derivatives are planar, triangle-shaped molecules that, via suitable coupling reactions, can form extended organic two-dimensional (2D) crystal (O2DC) structures. While TRI is a diradical, HTs are either closed-shell molecules or monoradicals which can be stabilized in their cationic form.Triangulene-based O2DCs have a characteristic honeycomb-kagome lattice.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
November 2024
Department of Physics, University of Wisconsin, Milwaukee, WI 53201.
The Stoner instability remains a cornerstone for understanding metallic ferromagnets. This instability captures the interplay of Coulomb repulsion, Pauli exclusion, and twofold fermionic spin degeneracy. In materials with spin-orbit coupling, this fermionic spin is generalized to a twofold degenerate pseudospin which is typically believed to have symmetry properties as spin.
View Article and Find Full Text PDFNat Commun
October 2024
Department of Physics and Astronomy, Rice University, Houston, TX, 77005, USA.
Magnetic kagome materials provide a fascinating playground for exploring the interplay of magnetism, correlation and topology. Many magnetic kagome systems have been reported including the binary FeX (X = Sn, Ge; m:n = 3:1, 3:2, 1:1) family and the rare earth RMnSn (R = rare earth) family, where their kagome flat bands are calculated to be near the Fermi level in the paramagnetic phase. While partially filling a kagome flat band is predicted to give rise to a Stoner-type ferromagnetism, experimental visualization of the magnetic splitting across the ordering temperature has not been reported for any of these systems due to the high ordering temperatures, hence leaving the nature of magnetism in kagome magnets an open question.
View Article and Find Full Text PDFSci Adv
October 2024
Faculty of Chemistry and Food Chemistry, TU Dresden, Bergstrasse 66c, 01069 Dresden, Germany.
Ferromagnetism and antiferromagnetism require robust long-range magnetic ordering, which typically involves strongly interacting spins localized at transition metal atoms. However, in metal-free systems, the spin orbitals are largely delocalized, and weak coupling between the spins in the lattice hampers long-range ordering. Metal-free magnetism is of fundamental interest to physical sciences, unlocking unprecedented dimensions for strongly correlated materials and biocompatible magnets.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2024
Key Laboratory of Optic-Electronic Information and Materials of Hebei Province, National-Local Joint Engineering Laboratory of New Energy Photoelectric Devices, Hebei Research Center of the Basic Discipline for Computational Physics, Key Laboratory of High-precision Computation and Application of Quantum Field Theory of Hebei Province, College of Physics Science and Technology, Hebei University, Baoding 071002, People's Republic of China.
Cobalt has the highest Curie temperature () among the elemental ferromagnetic metals and has a hexagonal close-packed (HCP) structure at room temperature. In this study, HCP Co was thinned to the thickness of several () unit cells along the -axis and then passivated by halogen atoms, thus being named CoX (X = F, Cl, Br and I). For CoX and CoX, all of them are not only kinetically but also thermodynamically stable from the viewpoint of the phonon spectra and molecular dynamics.
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