Chiral structures and tunable magnetic moments in 3d transition metal doped Pt ₆ clusters

Abstract

The structural, electronic, and magnetic properties of transition metal doped platinum clusters MPt6 (M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) are systematically studied by using the relativistic all-electron density functional theory with the generalized gradient approximation. Most of the doped clusters show larger binding energies than the pure Pt7 cluster, which indicates that the doping of the transition metal atom can stabilize the pure platinum cluster. The results of the highest occupied molecular orbital (HOMO)—lowest unoccupied molecular orbital (LUMO) gaps suggest that the doped clusters can have higher chemical activities than the pure Pt7 cluster. The magnetism calculations demonstrate that the variation range of the magnetic moments of the MPt6 clusters is from 0 μB to 7 μB, revealing that the MPt6 clusters have potential utility in designing new spintronic nanomaterials with tunable magnetic properties.

Structure and magnetic properties of Osn(n= 11 ∼ 22) clusters

“…Conversely, their contribu-123102-8 tions to the total magnetic moment will become smaller. [21][22][23][24] In Fig. 11, the cluster with an atom staying in its center (especially the close-packed hexagonal cluster with two atoms staying in its center) has the smallest spin density, almost invisible.…”

Enhanced chiral response from the Fabry–Perot cavity coupled meta-surfaces

“…Chirality is a fundamental and ubiquitous property of natural materials and biomolecules, which, in a two-dimensional (2D) case, refers to the phenomenon that a structure cannot be superimposed into its mirror image without turning the structure over. In the last decade, chiral plasmonics has aroused a considerable research interest for its importance in the fields like polarization control, [1][2][3][4][5][6][7][8][9][10][11][12] negative metamaterials, [13] biosensing, [14] repulsive Casimir force, [15] etc. Novel electromagnetic properties have been realized due to the large chiral response in these plasmonic applications, such as asymmetric transmission, [4] broadband circular polarization conversion, [12] attomolar limit of detection for DNA, [14] and nondispersive optical activity.…”

“…However, the chirality strengths of natural materials are very weak. The progress of research in plasmonic and nanofabrication technique allows us to realize artificial chiral materials that are so-called chiral meta-materials (CMMs), [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17] whose chiral effects are much higher than those of natural materials. Previously proposed structures can be divided into two types, the first type of structure is the 2D structure, including dual-layer twisted-layers, [1,2] multilayer gammadions, [3] U-shaped split ring resonators, [4,5] nonchiral square arrays, [6,7] etc.…”

“…Previously proposed structures can be divided into two types, the first type of structure is the 2D structure, including dual-layer twisted-layers, [1,2] multilayer gammadions, [3] U-shaped split ring resonators, [4,5] nonchiral square arrays, [6,7] etc. The second type of structure is the three-dimensional (3D) structure, such as metal-doped platinum clusters, [8] helical metamaterial, [9][10][11] and complex colloids. [12] Among the above devices, the 3D chiral structure has larger CD response, however, is difficult to fabricate and hard to use in the frequency range from visible to ultraviolet band.…”