Source of magnetic anisotropy in quasi-two-dimensional XY {Cu 4(tetrenH5)W(CN)8]4·7.2H 2O)}n bilayer molecular magnet
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ZAHARKO, Oksana, PREGELJ, Matej, ZORKO, Andrej, PODGAJNY, Robert, GUKASOV, Arsene G., VAN TOL, Johan, KLOKISHNER, Sophia I., OSTROVSKY, Sergei M., DELLEY, Bernard T.. Source of magnetic anisotropy in quasi-two-dimensional XY {Cu 4(tetrenH5)W(CN)8]4·7.2H 2O)}n bilayer molecular magnet. In: Physical Review B - Condensed Matter and Materials Physics, 2013, vol. 87, p. 0. ISSN 1098-0121. DOI: https://doi.org/10.1103/PhysRevB.87.024406
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Physical Review B - Condensed Matter and Materials Physics
Volumul 87 / 2013 / ISSN 1098-0121 /ISSNe 1550-235X

Source of magnetic anisotropy in quasi-two-dimensional XY {Cu 4(tetrenH5)W(CN)8]4·7.2H 2O)}n bilayer molecular magnet

DOI:https://doi.org/10.1103/PhysRevB.87.024406

Pag. 0-0

Zaharko Oksana1, Pregelj Matej12, Zorko Andrej2, Podgajny Robert3, Gukasov Arsene G.4, van Tol Johan5, Klokishner Sophia I.6, Ostrovsky Sergei M.6, Delley Bernard T.1
 
1 Paul Scherrer Institute,
2 Jozef Stefan Institute,
3 Jagiellonian University in Krakow,
4 Leon Brillouin Laboratory,
5 Florida State University,
6 Institute of Applied Physics, Academy of Sciences of Moldova
 
 
Disponibil în IBN: 5 iulie 2023


Rezumat

To identify the origin of the XY spin dimensionality in the bilayered system {Cu4(tetrenH5)[W(CN)84·7.2H2O}n (WCuT) we use a combination of single-crystal experiments (bulk magnetization, neutron flipping ratio, electron magnetic resonance, neutron diffraction) and theoretical modeling (exchange-charge model of the crystal field, dipolar energy, and density functional calculations). Our experiments show that the magnetic properties of WCuT are anisotropic and two-dimensional correlations build up below 70 K. The hard anisotropy axis is perpendicular to the layers (b axis) and a small anisotropy within the ac layers is present. Modeling of the crystal field validates treatment of tungsten and copper as spin S=12 ions with anisotropic g values. The local magnetic anisotropy results from the common action of the crystal field and spin-orbit coupling and is along the c axis for both ions. Density functional calculations identify the origin of the ferromagnetic exchange in different energies and symmetries of the tungsten- and copper-dominated orbitals and anticipate different exchange couplings across the apical (along the b axis) and equatorial (in the ac plane) Cu-CN-W bridges due to difference in the hybridization efficiency. Calculation of the dipolar energy for various spin configurations suggests that dipolar interactions play a decisive role in the ac-planar anisotropy in this system. We propose that the effective XY spin dimensionality in WCuT is established by a combination of the axial local anisotropy of the W and Cu ions and the long-range magnetic dipolar interactions on the bilayered square lattice. 

Cuvinte-cheie
Ferric Ferrocyanide, Cyanides, complex

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<dc:creator>Zaharko, O.</dc:creator>
<dc:creator>Pregelj, M.</dc:creator>
<dc:creator>Zorko, A.</dc:creator>
<dc:creator>Podgajny, R.</dc:creator>
<dc:creator>Gukasov, A.</dc:creator>
<dc:creator>van Tol, J.</dc:creator>
<dc:creator>Clochişner, S.I.</dc:creator>
<dc:creator>Ostrovschii, S.M.</dc:creator>
<dc:creator>Delley, B.</dc:creator>
<dc:date>2013-01-09</dc:date>
<dc:description xml:lang='en'><p>To identify the origin of the XY spin dimensionality in the bilayered system {Cu<sub>4</sub>(tetrenH<sub>5</sub>)[W(CN)<sub>8</sub>]&nbsp;<sub>4</sub>&middot;7.2H<sub>2</sub>O}<sub>n</sub>&nbsp;(WCuT) we use a combination of single-crystal experiments (bulk magnetization, neutron flipping ratio, electron magnetic resonance, neutron diffraction) and theoretical modeling (exchange-charge model of the crystal field, dipolar energy, and density functional calculations). Our experiments show that the magnetic properties of WCuT are anisotropic and two-dimensional correlations build up below 70 K. The hard anisotropy axis is perpendicular to the layers (b axis) and a small anisotropy within the ac layers is present. Modeling of the crystal field validates treatment of tungsten and copper as spin S=12 ions with anisotropic g values. The local magnetic anisotropy results from the common action of the crystal field and spin-orbit coupling and is along the c axis for both ions. Density functional calculations identify the origin of the ferromagnetic exchange in different energies and symmetries of the tungsten- and copper-dominated orbitals and anticipate different exchange couplings across the apical (along the b axis) and equatorial (in the ac plane) Cu-CN-W bridges due to difference in the hybridization efficiency. Calculation of the dipolar energy for various spin configurations suggests that dipolar interactions play a decisive role in the ac-planar anisotropy in this system. We propose that the effective XY spin dimensionality in WCuT is established by a combination of the axial local anisotropy of the W and Cu ions and the long-range magnetic dipolar interactions on the bilayered square lattice.&nbsp;</p></dc:description>
<dc:identifier>10.1103/PhysRevB.87.024406</dc:identifier>
<dc:source>Physical Review B - Condensed Matter and Materials Physics  () 0-0</dc:source>
<dc:subject>Ferric Ferrocyanide</dc:subject>
<dc:subject>Cyanides</dc:subject>
<dc:subject>complex</dc:subject>
<dc:title>Source of magnetic anisotropy in quasi-two-dimensional XY {Cu 4(tetrenH5)W(CN)8]4&middot;7.2H 2O)}n bilayer molecular magnet</dc:title>
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