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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container_title | Journal of magnetism and magnetic materials |
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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. The lattice compression was found to reduce predominantly the orbital moments.</description><identifier>ISSN: 0304-8853</identifier><identifier>EISSN: 1873-4766</identifier><identifier>DOI: 10.1016/j.jmmm.2019.165993</identifier><language>eng</language><publisher>Amsterdam: Elsevier B.V</publisher><subject>Ab initio calculations ; Alloying ; Bulk modulus ; Curie temperature ; Elasticity ; Electronic structure ; Ferromagnetism ; High pressures ; Magnetic permeability ; Magnetism ; Mathematical analysis ; Uranium hydride ; Uranium hydrides</subject><ispartof>Journal of magnetism and magnetic materials, 2020-03, Vol.497, p.165993, Article 165993</ispartof><rights>2019 Elsevier B.V.</rights><rights>Copyright Elsevier BV Mar 1, 2020</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c328t-802b07fe0a9bc05776e5e86dc384ce0417d0fa7261ecb965d344d9e2f3f7d9df3</citedby><cites>FETCH-LOGICAL-c328t-802b07fe0a9bc05776e5e86dc384ce0417d0fa7261ecb965d344d9e2f3f7d9df3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.jmmm.2019.165993$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids></links><search><creatorcontrib>Prchal, J.</creatorcontrib><creatorcontrib>Buturlim, V.</creatorcontrib><creatorcontrib>Valenta, J.</creatorcontrib><creatorcontrib>Dopita, M.</creatorcontrib><creatorcontrib>Divis, M.</creatorcontrib><creatorcontrib>Turek, I.</creatorcontrib><creatorcontrib>Kyvala, L.</creatorcontrib><creatorcontrib>Legut, D.</creatorcontrib><creatorcontrib>Havela, L.</creatorcontrib><title>Pressure variations of the 5f magnetism in UH3</title><title>Journal of magnetism and magnetic materials</title><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.</description><subject>Ab initio calculations</subject><subject>Alloying</subject><subject>Bulk modulus</subject><subject>Curie temperature</subject><subject>Elasticity</subject><subject>Electronic structure</subject><subject>Ferromagnetism</subject><subject>High pressures</subject><subject>Magnetic permeability</subject><subject>Magnetism</subject><subject>Mathematical analysis</subject><subject>Uranium hydride</subject><subject>Uranium hydrides</subject><issn>0304-8853</issn><issn>1873-4766</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LxDAURYMoOI7-AVcB160vTZqk4EYGv2BAF846ZJIXTbHtmHQG_Pd2qGtXd3PPe5dDyDWDkgGTt23Zdl1XVsCaksm6afgJWTCteCGUlKdkARxEoXXNz8lFzi0AMKHlgpRvCXPeJ6QHm6Id49BnOgQ6fiKtA-3sR49jzB2NPd0880tyFuxXxqu_XJLN48P76rlYvz69rO7XheOVHgsN1RZUQLDN1kGtlMQatfSOa-EQBFMeglWVZOi2jaw9F8I3WAUelG984EtyM9_dpeF7j3k07bBP_fTSVJwLxZgQbGpVc8ulIeeEwexS7Gz6MQzM0YtpzdGLOXoxs5cJupshnPYfIiaTXcTeoY8J3Wj8EP_DfwG72moN</recordid><startdate>20200301</startdate><enddate>20200301</enddate><creator>Prchal, J.</creator><creator>Buturlim, V.</creator><creator>Valenta, J.</creator><creator>Dopita, M.</creator><creator>Divis, M.</creator><creator>Turek, I.</creator><creator>Kyvala, L.</creator><creator>Legut, D.</creator><creator>Havela, L.</creator><general>Elsevier B.V</general><general>Elsevier BV</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20200301</creationdate><title>Pressure variations of the 5f magnetism in UH3</title><author>Prchal, J. ; Buturlim, V. ; Valenta, J. ; Dopita, M. ; Divis, M. ; Turek, I. ; Kyvala, L. ; Legut, D. ; Havela, L.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c328t-802b07fe0a9bc05776e5e86dc384ce0417d0fa7261ecb965d344d9e2f3f7d9df3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Ab initio calculations</topic><topic>Alloying</topic><topic>Bulk modulus</topic><topic>Curie temperature</topic><topic>Elasticity</topic><topic>Electronic structure</topic><topic>Ferromagnetism</topic><topic>High pressures</topic><topic>Magnetic permeability</topic><topic>Magnetism</topic><topic>Mathematical analysis</topic><topic>Uranium hydride</topic><topic>Uranium hydrides</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Prchal, J.</creatorcontrib><creatorcontrib>Buturlim, V.</creatorcontrib><creatorcontrib>Valenta, J.</creatorcontrib><creatorcontrib>Dopita, M.</creatorcontrib><creatorcontrib>Divis, M.</creatorcontrib><creatorcontrib>Turek, I.</creatorcontrib><creatorcontrib>Kyvala, L.</creatorcontrib><creatorcontrib>Legut, D.</creatorcontrib><creatorcontrib>Havela, L.</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of magnetism and magnetic materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Prchal, J.</au><au>Buturlim, V.</au><au>Valenta, J.</au><au>Dopita, M.</au><au>Divis, M.</au><au>Turek, I.</au><au>Kyvala, L.</au><au>Legut, D.</au><au>Havela, L.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Pressure variations of the 5f magnetism in UH3</atitle><jtitle>Journal of magnetism and magnetic materials</jtitle><date>2020-03-01</date><risdate>2020</risdate><volume>497</volume><spage>165993</spage><pages>165993-</pages><artnum>165993</artnum><issn>0304-8853</issn><eissn>1873-4766</eissn><abstract>•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.</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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