Exchange Coupling in Synthetic Anion‐Engineered Chromia Heterostructures

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.

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The influence of interlayer exchange coupling on magnetic ordering in Fe/V superlattices

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2008.11.010 ◽

2009 ◽

Vol 321 (9) ◽

pp. 1214-1220 ◽

Cited By ~ 5

Author(s):

M. Marcellini ◽

M. Pärnaste ◽

B. Hjörvarsson ◽

G. Nowak ◽

H. Zabel

Keyword(s):

Exchange Coupling ◽

Magnetic Ordering ◽

Interlayer Exchange Coupling ◽

Interlayer Exchange

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Exchange Coupling of Transition-Metal Ions through Hydrogen Bonding: A Theoretical Investigation

Journal of the American Chemical Society ◽

10.1021/ja0178160 ◽

2002 ◽

Vol 124 (18) ◽

pp. 5197-5205 ◽

Cited By ~ 154

Author(s):

Cédric Desplanches ◽

Eliseo Ruiz ◽

Antonio Rodríguez-Fortea ◽

Santiago Alvarez

Keyword(s):

Hydrogen Bonding ◽

Transition Metal ◽

Metal Ions ◽

Theoretical Investigation ◽

Exchange Coupling ◽

Transition Metal Ions

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Tetranuclear copper(ii) cubane complexes derived from self-assembled 1,3-dimethyl-5-(o-phenolate-azo)-6-aminouracil: structures, non-covalent interactions and magnetic property

New Journal of Chemistry ◽

10.1039/d0nj05232a ◽

2021 ◽

Vol 45 (5) ◽

pp. 2742-2753

Author(s):

Nishithendu Bikash Nandi ◽

Atanu Purkayastha ◽

Shaktibrata Roy ◽

Julia Kłak ◽

Rakesh Ganguly ◽

...

Keyword(s):

Magnetic Property ◽

Exchange Coupling ◽

Antiferromagnetic Exchange ◽

Non Covalent Interactions ◽

Cubane Cluster ◽

Self Assembled ◽

Covalent Interactions

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.

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Coexistence of non-Fermi liquid behavior and biquadratic exchange coupling in La-substituted CeGe: Nonlinear susceptibility and DFT+DMFT study

Physical Review B ◽

10.1103/physrevb.102.235137 ◽

2020 ◽

Vol 102 (23) ◽

Author(s):

Karan Singh ◽

Antik Sihi ◽

Sudhir K. Pandey ◽

K. Mukherjee

Keyword(s):

Fermi Liquid ◽

Exchange Coupling ◽

Nonlinear Susceptibility ◽

Biquadratic Exchange ◽

Liquid Behavior ◽

Fermi Liquid Behavior

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

Journal of Materials Chemistry C ◽

10.1039/d1tc03398k ◽

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...

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