Abstract Single‐ion magnets (SIMs), exhibiting slow magnetization relaxation in the absence
of the magnetic field, originate from their single spin‐carrier centre. In pursuit of high …

Since the last decade, the focus in the area of single‐molecule magnets (SMMs) has been
shifting constructively towards the development of single‐ion magnets (SIMs) based on …

Abstract Two-dimensional (2D) ferromagnets with high Curie temperature TC are desirable
for spintronics applications. However, they are rarely obtained in experiments mainly due to …

Spin-crossover (SCO) materials exhibit remarkable potential as bistable switches in
molecular devices. However, the spin transition temperatures (T c) of known compounds are …

Two mononuclear trigonal prismatic Co (II) complexes [Co (tppm*)][BPh4] 2 (1) and [Co
(hpy)][BPh4] 2· 3CH2Cl2 (2)(tppm*= 6, 6′, 6 ″-(methoxymethanetriyl) tris (2-(1 H-pyrazol-1 …

Three mononuclear octahedral Co (II) complexes are reported,[Co (py) 4 (SCN) 2](1),[Co
(py) 4 (Cl) 2]· H2O (2), and [Co (py) 4 (Br) 2](3), that exhibit different distortions with …

Although a great number of single-ion magnets (SIMs) and spin-crossover (SCO)
compounds have been discovered, multifunctional materials with the combination of SCO …

We present a new implementation for computing spin–orbit couplings (SOCs) within a time-
dependent density-functional theory (TD-DFT) framework in the standard spin-conserving …

Two hexacoordinate Mn (II) complexes containing a chelating residue of
hexafluoroacetylacetone and (Cl-substituted) 4-benzylpyridine show DC magnetic functions …

Comprehensive Summary Regulating spin crossover (SCO) behavior, especially controlling
the spin transition steps, is an important scientific issue, mainly because people aim to …