scholarly journals Pressure-induced two-step spin crossover in a double-layered elastic model

2017 ◽  
Vol 96 (17) ◽  
Author(s):  
Daisuke Taniguchi ◽  
Jun Okabayashi ◽  
Chisa Hotta
Keyword(s):  
Spin Crossover ◽  
Elastic Model

Cluster evolution in spin crossover systems observed in the frame of a mechano-elastic model

2010 ◽  
Vol 91 (2) ◽  
pp. 27003 ◽  
Author(s):  
C. Enachescu ◽  
M. Nishino ◽  
S. Miyashita ◽  
A. Hauser ◽  
A. Stancu ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Elastic Model ◽  
Cluster Evolution

Study of the relaxation in diluted spin crossover molecular magnets in the framework of the mechano-elastic model

2011 ◽  
Vol 109 (7) ◽  
pp. 07B111 ◽  
Author(s):  
Cristian Enachescu ◽  
Laurentiu Stoleriu ◽  
Alexandru Stancu ◽  
Andreas Hauser
Keyword(s):  
Spin Crossover ◽  
Molecular Magnets ◽  
Elastic Model

Properties of the low-spin high-spin interface during the relaxation of spin-crossover materials, investigated through an electro-elastic model

2013 ◽  
Vol 139 (19) ◽  
pp. 194706 ◽  
Author(s):  
A. Slimani ◽  
K. Boukheddaden ◽  
F. Varret ◽  
M. Nishino ◽  
S. Miyashita
Keyword(s):  
High Spin ◽  
Spin Crossover ◽  
Elastic Model

scholarly journals Shape effects on the cluster spreading process of spin-crossover compounds analyzed within an elastic model with Eden and Kawasaki dynamics

2015 ◽  
Vol 91 (10) ◽  
Author(s):  
Cristian Enachescu ◽  
Masamichi Nishino ◽  
Seiji Miyashita ◽  
Kamel Boukheddaden ◽  
François Varret ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Elastic Model ◽  
Kawasaki Dynamics ◽  
Spreading Process ◽  
Shape Effects

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).

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.

Abrupt spin crossover in iron(iii) complexes with aromatic anions

2019 ◽  
Vol 48 (41) ◽  
pp. 15515-15520 ◽  
Author(s):  
Sharon E. Lazaro ◽  
Adil Alkaş ◽  
Seok J. Lee ◽  
Shane G. Telfer ◽  
Keith S. Murray ◽  
...  
Keyword(s):  
Transition Temperature ◽  
Spin Crossover ◽  
Spin Transition ◽  
Halogen Bonds ◽  
Aromatic Anions

Two iron(iii) complexes, [Fe(qsal-X)2]OTs·nH2O, are found to exhibit abrupt spin crossover with the spin transition temperature substituent dependent, and X⋯O halogen bonds linking the spin centres.

Effects of incomplete parameterization on full-wavefield viscoelastic seismic data for petrophysical reservoir properties

Geophysics ◽  
2007 ◽  
Vol 72 (3) ◽  
pp. O9-O17 ◽  
Author(s):  
Upendra K. Tiwari ◽  
George A. McMechan
Keyword(s):  
Seismic Data ◽  
Input Data ◽  
Elastic Model ◽  
Quality Factors ◽  
Noise Levels ◽  
Reservoir Properties ◽  
Estimated Parameters ◽  
Model Parameterization ◽  
The Earth ◽  
Incomplete Model

In inversion of viscoelastic full-wavefield seismic data, the choice of model parameterization influences the uncertainties and biases in estimating seismic and petrophysical parameters. Using an incomplete model parameterization results in solutions in which the effects of missing parameters are attributed erroneously to the parameters that are included. Incompleteness in this context means assuming the earth is elastic rather than viscoelastic. The inclusion of compressional and shear-wave quality factors [Formula: see text] and [Formula: see text] in inversion gives better estimates of reservoir properties than the less complete (elastic) model parameterization. [Formula: see text] and [Formula: see text] are sensitive primarily to fluid types and saturations. The parameter correlations are sensitive also to the model parameterization. As noise increases in the viscoelastic input data, the resolution of the estimated parameters decreases, but the parameter correlations are relatively unaffected by modest noise levels.

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