Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment

Controlling the magnetic anisotropy of RumIrn (m + n = 3) clusters using the MgO(001) substrate

“…[4][5][6][7][8] The mixed clusters of 4d and 5d transition metals (TMs) may have large MAE due to the strong SOC and large spin moments of TMs. [9][10][11][12][13][14] A supporting substrate may be necessary for the actual device realization of clusters, and large PMA is highly desirable for realizing atomic-scale magnetic data storage. 15,16 Nonmagnetic 2D materials are an active interdisciplinary research topic to support clusters for spintronics and nanoscience applications due to the appropriate ligand field they provide.…”

“…15,16 Nonmagnetic 2D materials are an active interdisciplinary research topic to support clusters for spintronics and nanoscience applications due to the appropriate ligand field they provide. 14,[17][18][19] Xing et al studied the MAE of the transition metal dimer supported by benzene (BZ) and found that the MAEs of OsRu@BZ and IrRh@BZ were about 58 meV and 72 meV, respectively. 14 The MAEs of graphene supported mixed clusters of 4d and 5d TM with a single vacancy defect (SV), a single nitrogen-decorated vacancy defect (NSV), and a double nitrogen-decorated vacancy defect (NDV) have been extensively studied.…”

Transition-Metal Interlink Neural Network: Machine Learning of 2D Metal–Organic Frameworks with High Magnetic Anisotropy

“…To serve as a magnetic storage medium, an out-of-plane magnetic anisotropy is preferred. Significant efforts have been devoted to providing a suitable ligand environment for single-transition-metal atoms/clusters to achieve large perpendicular MAEs. − For example, giant perpendicular MAEs of 3.9–208 meV were experimentally or theoretically obtained for Co/Ru/Os adatoms on an MgO(001) surface, Dy atoms on graphene, Er and Ho atoms on Pt(111), Co 2 and Ir 2 dimers on single vacancies of graphene, , Pt–Ir and Os–Ru dimers on defective graphene, Ta, W, or Ir atoms on a g-C 3 N 4 monolayer, and Os–Fe dimers on benzene . In laboratory, however, it is difficult to precisely control the distribution of transition-metal atoms on a substrate due to their highly mobile nature.…”

“…Second, their geometric configurations are abundant and may contain metal centers with strong spin–orbit coupling (SOC), peculiar crystal fields from tunable organic ligands, and functional groups with flexible electron-donating capabilities. , As a consequence, both the orbital degeneracy and magnetic coupling between neighboring magnetic ions can be modulated effectively. Recently, large MAEs originating from transition-metal atoms surrounded by different organic molecules and functional groups have been widely found in 2D MOFs, ,,− for example, 19 meV per metal atom (abbreviated as meV/atom thereafter) for (1,3,5)-benzenetricarbonitrile–Re, 20 meV/atom for Os 2 and Ir 2 on polyphthalocyanine, 90 meV/atom for 2D Ir–dicyanoanthracene, and 48 meV/atom for F-functionalized Os@graphyne . Moreover, Wang et al revealed that the MAE of Re-embedded 2D polyporphyrin can be tailored from 24 to 60 meV by chemically modifying the functional radicals .…”

“…4−6 For example, giant perpendicular MAEs of 3.9−208 meV were experimentally or theoretically obtained for Co/Ru/Os adatoms on an MgO(001) surface, 7 Dy atoms on graphene, 8 Er and Ho atoms on Pt(111), 9 Co 2 and Ir 2 dimers on single vacancies of graphene, 10,11 Pt−Ir and Os−Ru dimers on defective graphene, 12 Ta, W, or Ir atoms on a g-C 3 N 4 monolayer, 13 and Os−Fe dimers on benzene. 14 In laboratory, however, it is difficult to precisely control the distribution of transition-metal atoms on a substrate due to their highly mobile nature.…”