Pressure variations of the 5f magnetism in UH3

•Curie temperature of beta-UH3 decreases with pressure to 3.2 GPa.•The linear decrease approx. −2 K/GPa is linear and weaker than assumed before.•The decrease indicates intermediate 5f delocalization.•Basic features are captured by GGA + U method. Pressure variations of the Curie temperature of the...

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Veröffentlicht in:Journal of magnetism and magnetic materials 2020-03, Vol.497, p.165993, Article 165993
Hauptverfasser: Prchal, J., Buturlim, V., Valenta, J., Dopita, M., Divis, M., Turek, I., Kyvala, L., Legut, D., Havela, L.
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container_issue
container_start_page 165993
container_title Journal of magnetism and magnetic materials
container_volume 497
creator Prchal, J.
Buturlim, V.
Valenta, J.
Dopita, M.
Divis, M.
Turek, I.
Kyvala, L.
Legut, D.
Havela, L.
description •Curie temperature of beta-UH3 decreases with pressure to 3.2 GPa.•The linear decrease approx. −2 K/GPa is linear and weaker than assumed before.•The decrease indicates intermediate 5f delocalization.•Basic features are captured by GGA + U method. Pressure variations of the Curie temperature of the 5f ferromagnet β-UH3 were studied using the Mo-alloyed hydride (UH3)0.82Mo0.18, which is stable in air and has very similar TC and magnetization per U atom. By means of ac magnetic susceptibility a linear decrease of TC was observed for pressures up to 3.2 GPa. The coefficient dTC/dp = −2.05 K/GPa gives dlnTC/dp = 1/T*dTC/dp ≈ −0.011 GPa−1. This value is smaller than expected for a 5f-band ferromagnet with relatively short U-U distances and suggests that UH3 may be more localized than expected. Among AnX compounds, similar dependence was found e.g. for US. Revisiting existing data on lattice elasticity for β-UH3, bulk modulus B ≈ 100 GPa can be assumed, leading to dlnTC/dlnV = 1.1. Experimental data are confronted with results of GGA + U electronic structure calculations. Plausible values of direct Coulomb U and Hund’s exchange J are deduced. The lattice compression was found to reduce predominantly the orbital moments.
doi_str_mv 10.1016/j.jmmm.2019.165993
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Pressure variations of the Curie temperature of the 5f ferromagnet β-UH3 were studied using the Mo-alloyed hydride (UH3)0.82Mo0.18, which is stable in air and has very similar TC and magnetization per U atom. By means of ac magnetic susceptibility a linear decrease of TC was observed for pressures up to 3.2 GPa. The coefficient dTC/dp = −2.05 K/GPa gives dlnTC/dp = 1/T*dTC/dp ≈ −0.011 GPa−1. This value is smaller than expected for a 5f-band ferromagnet with relatively short U-U distances and suggests that UH3 may be more localized than expected. Among AnX compounds, similar dependence was found e.g. for US. Revisiting existing data on lattice elasticity for β-UH3, bulk modulus B ≈ 100 GPa can be assumed, leading to dlnTC/dlnV = 1.1. Experimental data are confronted with results of GGA + U electronic structure calculations. Plausible values of direct Coulomb U and Hund’s exchange J are deduced. 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Pressure variations of the Curie temperature of the 5f ferromagnet β-UH3 were studied using the Mo-alloyed hydride (UH3)0.82Mo0.18, which is stable in air and has very similar TC and magnetization per U atom. By means of ac magnetic susceptibility a linear decrease of TC was observed for pressures up to 3.2 GPa. The coefficient dTC/dp = −2.05 K/GPa gives dlnTC/dp = 1/T*dTC/dp ≈ −0.011 GPa−1. This value is smaller than expected for a 5f-band ferromagnet with relatively short U-U distances and suggests that UH3 may be more localized than expected. Among AnX compounds, similar dependence was found e.g. for US. Revisiting existing data on lattice elasticity for β-UH3, bulk modulus B ≈ 100 GPa can be assumed, leading to dlnTC/dlnV = 1.1. Experimental data are confronted with results of GGA + U electronic structure calculations. Plausible values of direct Coulomb U and Hund’s exchange J are deduced. 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Pressure variations of the Curie temperature of the 5f ferromagnet β-UH3 were studied using the Mo-alloyed hydride (UH3)0.82Mo0.18, which is stable in air and has very similar TC and magnetization per U atom. By means of ac magnetic susceptibility a linear decrease of TC was observed for pressures up to 3.2 GPa. The coefficient dTC/dp = −2.05 K/GPa gives dlnTC/dp = 1/T*dTC/dp ≈ −0.011 GPa−1. This value is smaller than expected for a 5f-band ferromagnet with relatively short U-U distances and suggests that UH3 may be more localized than expected. Among AnX compounds, similar dependence was found e.g. for US. Revisiting existing data on lattice elasticity for β-UH3, bulk modulus B ≈ 100 GPa can be assumed, leading to dlnTC/dlnV = 1.1. Experimental data are confronted with results of GGA + U electronic structure calculations. Plausible values of direct Coulomb U and Hund’s exchange J are deduced. The lattice compression was found to reduce predominantly the orbital moments.</abstract><cop>Amsterdam</cop><pub>Elsevier B.V</pub><doi>10.1016/j.jmmm.2019.165993</doi></addata></record>
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subjects Ab initio calculations
Alloying
Bulk modulus
Curie temperature
Elasticity
Electronic structure
Ferromagnetism
High pressures
Magnetic permeability
Magnetism
Mathematical analysis
Uranium hydride
Uranium hydrides
title Pressure variations of the 5f magnetism in UH3
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