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Mechanical Properties of the Quasi-One-Dimensional Antiferromagnet Cu(en)(H₂O)₂SO₄
Dominik Legut1, Rudolf Sýkora1, Urszula Danuta Wdowik2
1IT4Innovations Center and Nanotechnology Center, VSB - Technical University of Ostrava, 17. listopadu 15, CZ 708 33 Ostrava-Poruba, Czech Republic.
Abstract:
The density functional theory was used to calculate elastic tensor for the quasi-one-dimensional antiferromagnetic compound Cu(en)(H₂O)₂SO₄, with en = C₂H8N₂. The bulk, shear, Young moduli, Poisson ratio, and elastic anisotropy were determined for the polycrystalline Cu(en)(H₂O)₂SO₄ by employing the Hill averaging of the single crystal elastic constants. They were compared to the respective quantities for other low-dimensional magnetic systems. The Cu(en)(H₂O)₂SO₄ compound is predicted to be soft and ductile. We have also estimated the Debye temperature for the Cu(en)(H₂O)₂SO₄ single crystal by using the sound velocities obtained from the calculated elastic constants.
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