Related Experiment Video
Updated: Jun 2, 2026
Advanced Experimental Methods for Low-temperature Magnetotransport Measurement of Novel Materials
Published on: January 21, 2016
Geometric and magnetic properties of Pt clusters supported on graphene: relativistic density-functional calculations
1University of Vienna, Faculty of Physics and Center for Computational Materials Science, Wien, Austria.
Abstract:
The geometric and magnetic structures of small Pt(n) clusters (n = 1 - 5) supported on a graphene layer have been investigated using ab initio density functional calculations including spin-orbit coupling. Pt-Pt interactions were found to be much stronger than the Pt-C interactions promoting the binding to the support. As a consequence, the equilibrium structure of the gas-phase clusters is preserved if they are deposited on graphene. However, the clusters bind to graphene only via at most two Pt-C bonds: A Pt(2) dumbbell prefers an upright position, the larger clusters are bound to graphene only via one edge of the planar cluster (Pt(3) and Pt(5)) or via two terminal Pt atoms of a bent Pt(4) rhombus. Evidently, the strong buckling of the graphene layer induced by the Pt-C bonds prevents the formation of a larger number of cluster-support bonds. As the local spin and orbital magnetic moments are quenched on the Pt atoms forming Pt-C bonds, the magnetic structure of the supported clusters is much more inhomogeneous as in the gas-phase. This leads to noncollinear magnetic structures and a strongly reduced magnetic anisotropy energy.
Related Concept Videos
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
02:42Valence Bond Theory
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.
01:24Potential Due to a Magnetized Object
The vector...
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
01:15Magnetic Vector Potential
Consider an ideal solenoid with n turns per unit length and radius R. If I is the current through the solenoid, the magnetic field inside the solenoid is expressed as the product of vacuum...