scholarly journals Magnetization density distribution in the metallic ferromagnet SrRuO3 determined by polarized neutron diffraction

2019 ◽  
Vol 100 (5) ◽  
Author(s):  
S. Kunkemöller ◽  
K. Jenni ◽  
D. Gorkov ◽  
A. Stunault ◽  
S. Streltsov ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Density Distribution ◽  
Magnetization Density ◽  
Polarized Neutron ◽  
Metallic Ferromagnet

Polarized neutron diffraction study of the magnetization density distribution in Rb 2 CrCl 4 : a two-dimensional ionic ferromagnet

1986 ◽  
Vol 406 (1830) ◽  
pp. 39-61 ◽  
Keyword(s):  
Neutron Diffraction ◽  
Density Distribution ◽  
Neutron Diffraction Study ◽  
Orbital Ordering ◽  
Teller Distortion ◽  
Main Structure ◽  
Magnetization Density ◽  
Jahn Teller ◽  
Polarized Neutron ◽  
Secondary Extinction

The magnetization density distribution in the ionic ferromagnet Rb 2 CrCl 4 has been determined by polarized neutron diffraction from a single crystal at 4.5 K. Magnetic structure factors F M were derived from the flipping ratios R of 660 main structure reflections (189 independent) and 57 super-structure reflections with sin θ /λ ≼ 0.8 Å -1 (λ = 0.90 Å). The main structure reflections were corrected for extinction using a secondary extinction parameter. The F M were modelled by representing the mag­netization density by a superposition of densities from orbitals centred at each atom : Cr(3d, 4s) and Cl(3s, 3p). The results verify the presence of orbital ordering arising from the cooperative Jahn-Teller distortion in the basal plane, previously postulated as responsible for the ferromagnetic exchange interaction. The proportion of the Cr 2+ moment occupying each 3d orbital is 0.26(2)( yz ), 0.25(2)( xz ), 0.25 0.25(2)( z 2 ) and — 0.01 (2)( x 2 — y 2 ), where z is the principal axis of Jahn-Teller elongation at each Cr site. The optimum refined distribution of the magnetic moment (μ B ) was Cr(3d) 3.16(8), Cr(4s) 0.6(1), equatorial Cl(3s) 0.05(2), Cl(3p) 0.06(3) and axial Cl(3s) 0.03(3), Cl(3p) 0.08(5).

The Spin Density Distribution in the Tetracyanoethylene Radical Anion, [TCNE]??, by Single-Crystal Polarized Neutron Diffraction

1994 ◽  
Vol 33 (13) ◽  
pp. 1397-1399 ◽  
Author(s):  
Andrey Zheludev ◽  
Andr� Grand ◽  
Eric Ressouche ◽  
Jacques Schweizer ◽  
Brian G. Morin ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Density Distribution ◽  
Single Crystal ◽  
Spin Density ◽  
Radical Anion ◽  
Spin Density Distribution ◽  
Polarized Neutron

The magnetization density of hexacyanoferrate(III) ion measured by polarized neutron diffraction in Cs 2 KFe(CN) 6

1988 ◽  
Vol 419 (1857) ◽  
pp. 205-219 ◽  
Keyword(s):  
Neutron Diffraction ◽  
Iron Atom ◽  
Theoretical Calculations ◽  
Electronic Configuration ◽  
Dipole Approximation ◽  
Ligand Field ◽  
Cubic Symmetry ◽  
Structure Factors ◽  
Magnetization Density ◽  
Polarized Neutron

A polarized neutron diffraction experiment on Cs 2 KFe(CN) 6 gave 292 unique magnetic structure factors. These were analysed by using a model for the magnetization density of multipoles and valence functions on the iron and ligand atoms, with the dipole approximation for orbital effects. Neither the ligand nor the iron atom densities retain the cubic symmetry of the free ferricyanide ion. The natural axes of quantization of the iron atom are rotated by significant amounts from the Fe-CN vectors. The iron electronic configuration was found to be d -0.64(8) xy d 0.78(6) xz d 0.72(5) yz d -0.06(6) z 2 d 0.17(7) x 2 - y 2 corresponding to the cubic t 5 2g configuration of the low-spin d 5 Fe III ion perturbed to put all spin in the d xz and d yz orbitals. The negative spin in the d xy orbital and the 6% of negative spin on the carbon atoms conform with the qualitative predictions of previous ab initio theoretical calculations, although for d xy there are large manifestations of spin polarization. The 12% of spin delocalized onto nitrogen atoms reflects covalence. The ligand populations depart considerably from those for cubic symmetry, and can be understood in terms of spin occupation of molecular orbitals involving 3d-t 2g orbitals with coefficients d xy < d xz < d yz . These observations can be rationalized by an empirical model in which the ligand field components exerted by the cyanide groups are influenced by details of the crystal structure.

scholarly journals Polarized-neutron-diffraction study of the magnetization density in hexagonalY2Fe17

1994 ◽  
Vol 50 (13) ◽  
pp. 9293-9299 ◽  
Author(s):  
O. Moze ◽  
R. Caciuffo ◽  
B. Gillon ◽  
G. Calestani ◽  
F. E. Kayzel ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Magnetization Density ◽  
Polarized Neutron
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