scholarly journals First principles calculation of a large variation in dielectric tensor through the spin crossover in the CsFe[Cr(CN)6] Prussian blue analogue

2014 ◽  
Vol 140 (14) ◽  
pp. 144503 ◽  
Author(s):  
Derek S. Middlemiss ◽  
Robert J. Deeth
Keyword(s):  
Prussian Blue ◽  
First Principles ◽  
Spin Crossover ◽  
First Principles Calculation ◽  
Dielectric Tensor ◽  
Prussian Blue Analogue

X-Ray Illumination Induced Fe(II) Spin Crossover in the Prussian Blue Analogue Cesium Iron Hexacyanochromate.

ChemInform ◽  
2006 ◽  
Vol 37 (38) ◽  
Author(s):  
Dionisis Papanikolaou ◽  
Serena Margadonna ◽  
Wataru Kosaka ◽  
Shin-ichi Ohkoshi ◽  
Michela Brunelli ◽  
...  
Keyword(s):  
Prussian Blue ◽  
Spin Crossover ◽  
Prussian Blue Analogue ◽  
X Ray

scholarly journals Spin crossover in the Prussian blue analogue FePt(CN)6 induced by pressure or X-ray irradiation

2020 ◽  
Vol 49 (37) ◽  
pp. 12940-12944
Author(s):  
Hanna L. B. Boström ◽  
Andrew B. Cairns ◽  
Lei Liu ◽  
Peter Lazor ◽  
Ines E. Collings
Keyword(s):  
Prussian Blue ◽  
Spin Crossover ◽  
Prussian Blue Analogue ◽  
X Ray

Pressure and X-ray irradiation induced spin crossover is found in Prussian blue analogue FePt(CN)6.

Prussian Blue Analogue CsFe[Cr(CN)6] as a Matrix for the Fe(II) Spin-Crossover

2007 ◽  
Vol 46 (26) ◽  
pp. 11106-11111 ◽  
Author(s):  
Boris Le Guennic ◽  
Serguei Borshch ◽  
Vincent Robert
Keyword(s):  
Prussian Blue ◽  
Spin Crossover ◽  
Prussian Blue Analogue

Piezomagnetic Behavior of the Spin Crossover Prussian Blue Analogue CsFe[Cr(CN)6]

2007 ◽  
Vol 111 (22) ◽  
pp. 8086-8091 ◽  
Author(s):  
Dionisis Papanikolaou ◽  
Wataru Kosaka ◽  
Serena Margadonna ◽  
Hiroyuki Kagi ◽  
Shin-ichi Ohkoshi ◽  
...  
Keyword(s):  
Prussian Blue ◽  
Spin Crossover ◽  
Prussian Blue Analogue

scholarly journals First Principles Study on the Effect of Pressure on the Structure, Elasticity, and Magnetic Properties of Cubic GaFe(CN)6 Prussian Blue Analogue

2019 ◽  
Vol 9 (8) ◽  
pp. 1607 ◽  
Author(s):  
Chuankun Zhang ◽  
Haiming Huang ◽  
Shijun Luo
Keyword(s):  
Mechanical Properties ◽  
Magnetic Properties ◽  
Prussian Blue ◽  
First Principles ◽  
Magnetic Moments ◽  
External Pressure ◽  
Half Metallicity ◽  
Obvious Effect ◽  
Prussian Blue Analogue ◽  
Half Metallic

The structure, elasticity, and magnetic properties of Prussian blue analogue GaFe(CN)6 under external pressure ranges from 0 to 40 GPa were studied by first principles calculations. In the range of pressure from 0 to 35 GPa, GaFe(CN)6 not only has the half-metallic characteristics of 100% spin polarization, but also has stable mechanical properties. The external pressure has no obvious effect on the crystal structure and anisotropy of GaFe(CN)6, but when the pressure exceeds 35 GPa, the half-metallicity of GaFe(CN)6 disappears, the mechanical properties are no longer stable, and total magnetic moments per formula unit are no longer integer values.

Light-Induced Magnetization Changes in a Coordination Polymer Heterostructure of a Prussian Blue Analogue and a Hofmann-like Fe(II) Spin Crossover Compound

2014 ◽  
Vol 136 (28) ◽  
pp. 9846-9849 ◽  
Author(s):  
Corey R. Gros ◽  
Marcus K. Peprah ◽  
Brian D. Hosterman ◽  
Tatiana V. Brinzari ◽  
Pedro A. Quintero ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Prussian Blue ◽  
Spin Crossover ◽  
Prussian Blue Analogue

X-ray Illumination Induced Fe(II) Spin Crossover in the Prussian Blue Analogue Cesium Iron Hexacyanochromate

2006 ◽  
Vol 128 (25) ◽  
pp. 8358-8363 ◽  
Author(s):  
Dionisis Papanikolaou ◽  
Serena Margadonna ◽  
Wataru Kosaka ◽  
Shin-ichi Ohkoshi ◽  
Michela Brunelli ◽  
...  
Keyword(s):  
Prussian Blue ◽  
Spin Crossover ◽  
Prussian Blue Analogue ◽  
X Ray

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra
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