Guest‐Dependent Pressure‐Induced Spin Crossover in Fe II 4 [M IV (CN) 8 ] 2 (M=Mo, W) Cluster‐Based Material Showing Persistent Solvent‐Driven Structural Transformations

2020 ◽  
Vol 26 (49) ◽  
pp. 11187-11198 ◽  
Author(s):  
Robert Jankowski ◽  
Mateusz Reczyński ◽  
Szymon Chorazy ◽  
Mikołaj Zychowicz ◽  
Mirosław Arczyński ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Structural Transformations

Structural Transformations and Magnetic Effects Induced by Solvent Exchange in the Spin Crossover Complex [Fe(bpp)2][Cr(bpy)(ox)2]2

2005 ◽  
Vol 2005 (14) ◽  
pp. 2783-2787 ◽  
Author(s):  
Mari Carmen Giménez-López ◽  
Miguel Clemente-León ◽  
Eugenio Coronado ◽  
Francisco M. Romero ◽  
Sergiu Shova ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Structural Transformations ◽  
Solvent Exchange ◽  
Magnetic Effects

Phase Transitions in Multiferroic BiFeO3

2006 ◽  
Vol 987 ◽  
Author(s):  
Alexander G. Gavriliuk ◽  
Viktor Struzhkin ◽  
Igor S. Lyubutin ◽  
Ivan A. Trojan ◽  
Michael Y. Hu ◽  
...  
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
Theoretical Consideration ◽  
Spin Crossover ◽  
High Pressures ◽  
Structural Transformations ◽  
Multiferroic Bifeo ◽  
Multiferroic Bifeo3 ◽  
Optical And Electronic Properties ◽  
Diamond Anvil

AbstractThe multiferroic BiFeO3 crystals were studied under high pressures up to 70 GPa created in diamond anvil cells. Electronic, magnetic and structural transformations were found in the region 40-55 GPa. Electronic transition with high-to-low spin crossover of Fe3+ ion, suppression of magnetism and metallization were carefully investigated and documented. All transitions are completely reversible. The proposed theoretical consideration explains some details of the high-pressure magnetic, optical and electronic properties.

Structural Transformation of a Germanium Σ=13 (510) [001] Tilt Grain Boundary under the Electron Beam

1990 ◽  
Vol 48 (1) ◽  
pp. 52-53 ◽  
Author(s):  
Jean-Luc Rouvière ◽  
Alain Bourret
Keyword(s):  
Electron Microscopy ◽  
High Resolution ◽  
Grain Boundary ◽  
Structural Transformation ◽  
Mirror Symmetry ◽  
High Resolution Electron Microscopy ◽  
Structural Transformations ◽  
Covalent Bonds ◽  
Resolution Electron ◽  
Tilt Grain Boundary

The possible structural transformations during the sample preparations and the sample observations are important issues in electron microscopy. Several publications of High Resolution Electron Microscopy (HREM) have reported that structural transformations and evaporation of the thin parts of a specimen could happen in the microscope. Diffusion and preferential etchings could also occur during the sample preparation.Here we report a structural transformation of a germanium Σ=13 (510) [001] tilt grain boundary that occurred in a medium-voltage electron microscopy (JEOL 400KV).Among the different (001) tilt grain boundaries whose atomic structures were entirely determined by High Resolution Electron Microscopy (Σ = 5(310), Σ = 13 (320), Σ = 13 (510), Σ = 65 (1130), Σ = 25 (710) and Σ = 41 (910), the Σ = 13 (510) interface is the most interesting. It exhibits two kinds of structures. One of them, the M-structure, has tetracoordinated covalent bonds and is periodic (fig. 1). The other, the U-structure, is also tetracoordinated but is not strictly periodic (fig. 2). It is composed of a periodically repeated constant part that separates variable cores where some atoms can have several stable positions. The M-structure has a mirror glide symmetry. At Scherzer defocus, its HREM images have characteristic groups of three big white dots that are distributed on alternatively facing right and left arcs (fig. 1). The (001) projection of the U-structure has an apparent mirror symmetry, the portions of good coincidence zones (“perfect crystal structure”) regularly separate the variable cores regions (fig. 2).

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.

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