Elastic Interaction in Spin-Crossover Compounds

2006 ◽  
pp. 171-195 ◽  
Author(s):  
H. Spiering
Keyword(s):  
Spin Crossover ◽  
Elastic Interaction

scholarly journals Tutorial on elastic interaction models for multistep spin-crossover transitions

2021 ◽  
Vol 130 (14) ◽  
pp. 141102
Author(s):  
Masamichi Nishino ◽  
Yogendra Singh ◽  
Kamel Boukheddaden ◽  
Seiji Miyashita
Keyword(s):  
Spin Crossover ◽  
Elastic Interaction ◽  
Interaction Models

scholarly journals Critical temperature and correlation length of an elastic interaction model for spin-crossover materials

2012 ◽  
Vol 85 (5) ◽  
Author(s):  
Taro Nakada ◽  
Takashi Mori ◽  
Seiji Miyashita ◽  
Masamichi Nishino ◽  
Synge Todo ◽  
...  
Keyword(s):  
Critical Temperature ◽  
Correlation Length ◽  
Spin Crossover ◽  
Interaction Model ◽  
Elastic Interaction

Spin-crossover in an iron(iii) complex showing a broad thermal hysteresis

2021 ◽  
Author(s):  
Cyril Rajnák ◽  
Romana Mičová ◽  
Ján Moncoľ ◽  
Ľubor Dlháň ◽  
Christoph Krüger ◽  
...  
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Spin Crossover ◽  
Thermal Hysteresis ◽  
Mononuclear Complex ◽  
Hysteresis Width ◽  
Thermally Induced

A pentadentate Schiff-base ligand 3,5Cl-L2− and NCSe− form a iron(iii) mononuclear complex [Fe(3,5Cl-L)(NCSe)], which shows a thermally induced spin crossover with a broad hysteresis width of 24 K between 123 K (warming) and 99 K (cooling).

Elastic Interaction Between Modulated Steps on a Vicinal Surface

1995 ◽  
Vol 5 (6) ◽  
pp. 685-698 ◽  
Author(s):  
B. Houchmandzadeh ◽  
C. Misbah
Keyword(s):  
Elastic Interaction ◽  
Vicinal Surface

Dynamic and static muon-spin relaxation observed above and below the spin-crossover in Fe(II) complexes

2004 ◽  
Vol 114 ◽  
pp. 601-605 ◽  
Author(s):  
S. J. Blundell ◽  
T. Lancaster ◽  
F. L. Pratt ◽  
C. A. Steer ◽  
M. L. Brooks ◽  
...  
Keyword(s):  
Spin Relaxation ◽  
Spin Crossover ◽  
Muon Spin ◽  
Muon Spin Relaxation

Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model to Improve Density Function Calculations

2019 ◽  
Author(s):  
Xianghai Sheng ◽  
Lee Thompson ◽  
Hrant Hratchian
Keyword(s):  
Density Functional Theory ◽  
Exchange Coupling ◽  
Density Functional ◽  
Spin Crossover ◽  
Coupling Constants ◽  
Spin Projection ◽  
Coupling Constant ◽  
Projection Model ◽  
Functional Theory

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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