Magnetic Exchange Coupling in the FeIII6(.mu.6-O) Core: A Hint to the Magnetic Properties of Higher-Nuclearity Spin Clusters

1994 ◽  
Vol 33 (7) ◽  
pp. 1559-1561 ◽  
Author(s):  
Andrea Cornia ◽  
Dante Gatteschi ◽  
Kaspar Hegetschweiler
Keyword(s):  
Magnetic Properties ◽  
Exchange Coupling ◽  
Magnetic Exchange ◽  
Magnetic Exchange Coupling ◽  
Spin Clusters

scholarly journals DFT Investigations of the Magnetic Properties of Actinide Complexes

2019 ◽  
Vol 5 (1) ◽  
pp. 15 ◽  
Author(s):  
Lotfi Belkhiri ◽  
Boris Le Guennic ◽  
Abdou Boucekkine
Keyword(s):  
Magnetic Properties ◽  
Exchange Coupling ◽  
Density Functional ◽  
Magnetic Hysteresis ◽  
Molecular Magnets ◽  
Blocking Temperature ◽  
Magnetic Exchange ◽  
Hartree Fock ◽  
Magnetic Exchange Coupling ◽  
Metal Metal

Over the past 25 years, magnetic actinide complexes have been the object of considerable attention, not only at the experimental level, but also at the theoretical one. Such systems are of great interest, owing to the well-known larger spin–orbit coupling for actinide ions, and could exhibit slow relaxation of the magnetization, arising from a large anisotropy barrier, and magnetic hysteresis of purely molecular origin below a given blocking temperature. Furthermore, more diffuse 5f orbitals than lanthanide 4f ones (more covalency) could lead to stronger magnetic super-exchange. On the other hand, the extraordinary experimental challenges of actinide complexes chemistry, because of their rarity and toxicity, afford computational chemistry a particularly valuable role. However, for such a purpose, the use of a multiconfigurational post-Hartree-Fock approach is required, but such an approach is computationally demanding for polymetallic systems—notably for actinide ones—and usually simplified models are considered instead of the actual systems. Thus, Density Functional Theory (DFT) appears as an alternative tool to compute magnetic exchange coupling and to explore the electronic structure and magnetic properties of actinide-containing molecules, especially when the considered systems are very large. In this paper, relevant achievements regarding DFT investigations of the magnetic properties of actinide complexes are surveyed, with particular emphasis on some representative examples that illustrate the subject, including actinides in Single Molecular Magnets (SMMs) and systems featuring metal-metal super-exchange coupling interactions. Examples are drawn from studies that are either entirely computational or are combined experimental/computational investigations in which the latter play a significant role.

A novel and facile route to in-situ formation of composites with dual coupling interactions for considerable millimeter-wave absorption performance

2021 ◽  
Author(s):  
Chuyang Liu ◽  
Tao Jiang ◽  
Tian Gao ◽  
Guangxian Xia ◽  
Yufan Cao ◽  
...  
Keyword(s):  
Millimeter Wave ◽  
Exchange Coupling ◽  
Ferromagnetic Coupling ◽  
Soft Magnetic ◽  
Magnetic Exchange ◽  
Magnetic Exchange Coupling ◽  
Absorption Performance ◽  
In Situ Formation ◽  
Facile Route

It is well known that both hard/soft magnetic exchange-coupling and ferroelectric-ferromagnetic coupling could facilitate the microwave absorption behavior. Herein, we propose the BaZrxFe12-xO19/Fe3O4/BaZrO3 composites to integrate the advantages of the...

scholarly journals Transferrable property relationships between magnetic exchange coupling and molecular conductance

2020 ◽  
Vol 11 (42) ◽  
pp. 11425-11434
Author(s):  
Martin L. Kirk ◽  
Ranjana Dangi ◽  
Diana Habel-Rodriguez ◽  
Jing Yang ◽  
David A. Shultz ◽  
...  
Keyword(s):  
Exchange Coupling ◽  
Semiquinone Radical ◽  
Magnetic Exchange ◽  
Magnetic Exchange Coupling ◽  
Coupling Parameters ◽  
Molecular Conductance

Calculated conductance through Aun–S–Bridge–S–Aun constructs are compared to experimental magnetic exchange coupling parameters in TpCum,MeZn(SQ–Bridge–NN) complexes, where SQ = semiquinone radical and NN = nitronylnitroxide radical.

Magnetic exchange coupling in tetranuclear copper clusters of the type [Cu4(μ4O)Cl6−nBrnL4]

2001 ◽  
Vol 344 (3-4) ◽  
pp. 305-309 ◽  
Author(s):  
Roman Boča ◽  
L'ubor Dlháň ◽  
Darina Makáňová ◽  
Jerzi Mrozinski ◽  
Gregor Ondrejovič ◽  
...  
Keyword(s):  
Exchange Coupling ◽  
Magnetic Exchange ◽  
Copper Clusters ◽  
Magnetic Exchange Coupling

scholarly journals Magnetic exchange-coupling effects in asymmetric trilayer structures of MBE-grown Co/Cr/Fe

1996 ◽  
Vol 53 (17) ◽  
pp. 11613-11620 ◽  
Author(s):  
Katharina Theis-Bröhl ◽  
Rainer Scheidt ◽  
Thomas Zeidler ◽  
Frank Schreiber ◽  
Hartmut Zabel ◽  
...  
Keyword(s):  
Exchange Coupling ◽  
Coupling Effects ◽  
Magnetic Exchange ◽  
Magnetic Exchange Coupling
Sign in / Sign up

Export Citation Format

Share Document