Ferro- and antiferromagnetic exchange coupling constants in PELDOR spectra

2009 ◽  
Vol 11 (31) ◽  
pp. 6708 ◽  
Author(s):  
D. Margraf ◽  
P. Cekan ◽  
T. F. Prisner ◽  
S. Th. Sigurdsson ◽  
O. Schiemann
2019 ◽  
Author(s):  
Xianghai Sheng ◽  
Lee Thompson ◽  
Hrant Hratchian

This work evaluates the quality of exchange coupling constant and spin crossover gap calculations using density functional theory corrected by the Approximate Projection model. Results show that improvements using the Approximate Projection model range from modest to significant. This study demonstrates that, at least for the class of systems examined here, spin-projection generally improves the quality of density functional theory calculations of J-coupling constants and spin crossover gaps. Furthermore, it is shown that spin-projection can be important for both geometry optimization and energy evaluations. The Approximate Project model provides an affordable and practical approach for effectively correcting spin-contamination errors in molecular exchange coupling constant and spin crossover gap calculations.


2021 ◽  
Vol 45 (5) ◽  
pp. 2742-2753
Author(s):  
Nishithendu Bikash Nandi ◽  
Atanu Purkayastha ◽  
Shaktibrata Roy ◽  
Julia Kłak ◽  
Rakesh Ganguly ◽  
...  

A new doubly opened 4 + 2 Cu4O4 cubane cluster exhibits strong antiferromagnetic exchange coupling with J1 = −110.1 cm−1, and J2 = −27.1 cm−1.


1971 ◽  
Vol 34 (4) ◽  
pp. 223-224 ◽  
Author(s):  
B. Kuhlow ◽  
M. Lambeck ◽  
H. Schroeder-Fürst ◽  
J. Wortmann

2008 ◽  
Vol 78 (14) ◽  
Author(s):  
Céline Portemont ◽  
Robert Morel ◽  
Wolfgang Wernsdorfer ◽  
Dominique Mailly ◽  
Ariel Brenac ◽  
...  

1995 ◽  
Vol 31 (6) ◽  
pp. 3274-3276 ◽  
Author(s):  
R. Sbiaa ◽  
H. Le Gall ◽  
Y. Braik ◽  
J.M. Desvignes ◽  
S. Yurchenko

SPIN ◽  
2012 ◽  
Vol 02 (04) ◽  
pp. 1250016 ◽  
Author(s):  
B. LEWITZ ◽  
A. STRAUB ◽  
V. KAPAKLIS ◽  
P. POULOPOULOS ◽  
A. DELIMITIS ◽  
...  

Two identical Co/EuS and Fe/EuS multilayers of six periods each and with individual layers of about 4 nm thick are grown by e-beam evaporation under ultrahigh vacuum conditions. The films show polycrystalline structure with a grain size limited by the individual layer thickness. Both multilayers consist of almost continuous layers with some roughness. The surface peak-to-peak roughness is about 4–5 nm. Magnetization measurements and calculations of the loops based on a Stoner–Wohlfarth-like model allow us to determine the direct antiferromagnetic exchange coupling constant between the 3d metal and EuS at 5 K. Both samples show strong enhancement of the Curie temperature of EuS up to at least 50 K with a EuS magnetization tail, which persists up to about 100 K. The J = 7/2 character of the EuS layers is shown to be responsible for the large Curie temperature enhancement.


1997 ◽  
Vol 475 ◽  
Author(s):  
J.T. Kohlhepp ◽  
J.J. De Vries ◽  
F.J.A. Den Broeder ◽  
R. Coehoorn ◽  
R.M. Jungblut ◽  
...  

ABSTRACTThe magnetic interlayer exchange coupling in Fe/Si-based thin film structures employing sputtered multilayers with variations of Si-alloyed Fe for the magnetic layers and Fe-alloyed Si spacers, as well as wedge-shaped MBE-grown Fe/Si/Fe sandwich samples has been systematically studied. From structural and magnetic analysis it is concluded that ultrathin Si and FexSi100-x (x < 50) spacer layers transform into a crystalline iron suicide with a composition close to Fe50Si50. The exchange coupling mediated by this metallic suicide is antiferromagnetic and depends on the spacer thickness in an exponential, i.e. non-oscillatory, manner with a universial characteristic decay length of 3–4 Å at room temperature. This observation can be qualitatively explained within the framework of a recent coupling theory on the premise that the FeSi interlayer has the metastable CsCl(B2)-structure.


2001 ◽  
Vol 89 (11) ◽  
pp. 6898-6900 ◽  
Author(s):  
David Spenato ◽  
Jamal Ben Youssef ◽  
Henri Le Gall ◽  
Jean Ostoréro

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