Spin density in ferromagnetic nickel: a magnetic Compton scattering study
The magnetic Compton profiles (MCPs) measured in the [100], [110], [111] and [112] directions in single-crystal nickel with an incident photon beam of energy 224 keV are presented and discussed. The momentum resolution achieved, of 0.43 atomic units, improves on previous studies by almost a factor o...
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| Veröffentlicht in: | Journal of physics. Condensed matter 1998-03, Vol.10 (12), p.2759-2771 |
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| container_issue | 12 |
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| container_title | Journal of physics. Condensed matter |
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| creator | Dixon, M A G Duffy, J A Gardelis, S McCarthy, J E Cooper, M J Dugdale, S B Jarlborg, T Timms, D N |
| description | The magnetic Compton profiles (MCPs) measured in the [100], [110], [111] and [112] directions in single-crystal nickel with an incident photon beam of energy 224 keV are presented and discussed. The momentum resolution achieved, of 0.43 atomic units, improves on previous studies by almost a factor of two, and facilitates the interpretation of the MCPs in terms of the underlying spin-dependent momentum densities. Calculations have been performed using the linear muffin-tin orbital method, within both the local spin-density approximation (LSDA) and the generalized gradient approximation (GGA). Comparison with experiment reveals the limitations of the LSDA at low momentum, where the GGA is better able to reproduce the contribution of the s- and p-like electrons. All of the calculations overestimate the moment associated with the d-like electrons, for momenta corresponding to the first Brillouin zone. We also confirm the existence of the so-called Umklapp shoulders, which derive from the Fermi surface topology. |
| doi_str_mv | 10.1088/0953-8984/10/12/014 |
| format | Article |
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The momentum resolution achieved, of 0.43 atomic units, improves on previous studies by almost a factor of two, and facilitates the interpretation of the MCPs in terms of the underlying spin-dependent momentum densities. Calculations have been performed using the linear muffin-tin orbital method, within both the local spin-density approximation (LSDA) and the generalized gradient approximation (GGA). Comparison with experiment reveals the limitations of the LSDA at low momentum, where the GGA is better able to reproduce the contribution of the s- and p-like electrons. All of the calculations overestimate the moment associated with the d-like electrons, for momenta corresponding to the first Brillouin zone. We also confirm the existence of the so-called Umklapp shoulders, which derive from the Fermi surface topology.</description><identifier>ISSN: 0953-8984</identifier><identifier>EISSN: 1361-648X</identifier><identifier>DOI: 10.1088/0953-8984/10/12/014</identifier><identifier>CODEN: JCOMEL</identifier><language>eng</language><publisher>Bristol: IOP Publishing</publisher><subject>Applied sciences ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Density functional theory, local density approximation ; Electron states ; Exact sciences and technology ; Interactions of particles and radiation with matter ; Metals. Metallurgy ; Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation ; Other interactions of matter with particles and radiation ; Physics ; Theories and models of many electron systems</subject><ispartof>Journal of physics. 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Condensed matter</title><description>The magnetic Compton profiles (MCPs) measured in the [100], [110], [111] and [112] directions in single-crystal nickel with an incident photon beam of energy 224 keV are presented and discussed. The momentum resolution achieved, of 0.43 atomic units, improves on previous studies by almost a factor of two, and facilitates the interpretation of the MCPs in terms of the underlying spin-dependent momentum densities. Calculations have been performed using the linear muffin-tin orbital method, within both the local spin-density approximation (LSDA) and the generalized gradient approximation (GGA). Comparison with experiment reveals the limitations of the LSDA at low momentum, where the GGA is better able to reproduce the contribution of the s- and p-like electrons. All of the calculations overestimate the moment associated with the d-like electrons, for momenta corresponding to the first Brillouin zone. We also confirm the existence of the so-called Umklapp shoulders, which derive from the Fermi surface topology.</description><subject>Applied sciences</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Density functional theory, local density approximation</subject><subject>Electron states</subject><subject>Exact sciences and technology</subject><subject>Interactions of particles and radiation with matter</subject><subject>Metals. Metallurgy</subject><subject>Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation</subject><subject>Other interactions of matter with particles and radiation</subject><subject>Physics</subject><subject>Theories and models of many electron systems</subject><issn>0953-8984</issn><issn>1361-648X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1998</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LxDAQhoMouK7-Ai89iAeh26RJ29SbLH7BggcVvIWYjyXaJjXJHvbfm7pLL4qnGWae92XmBeAcwQWClBawrXBOW0oKBAtUFhCRAzBDuEZ5TejbIZhNxDE4CeEDQkgoJjPw-DwYm0llg4nbLLVaee96vrYqGpFZIz5Vd53xbBotXT9EZ7MgeIzKG7vOQtzI7Sk40rwL6mxf5-D17vZl-ZCvnu4flzerXBDSxFxjhTEmjaJEtu9KSCF1KTgtSaupppXQspQacUpVrUVbopYr2khc47aqeJLOweXOd_Dua6NCZL0JQnUdt8ptAivrhiJCRhDvQOFdCF5pNnjTc79lCLIxNjaGwsZQfiYlS7El1cXenqcPO-25FSZM0nRP4quEXe0w44Zp-YcfG6RO8OI3_N8R36WliMY</recordid><startdate>19980330</startdate><enddate>19980330</enddate><creator>Dixon, M A G</creator><creator>Duffy, J A</creator><creator>Gardelis, S</creator><creator>McCarthy, J E</creator><creator>Cooper, M J</creator><creator>Dugdale, S B</creator><creator>Jarlborg, T</creator><creator>Timms, D N</creator><general>IOP Publishing</general><general>Institute of Physics</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>19980330</creationdate><title>Spin density in ferromagnetic nickel: a magnetic Compton scattering study</title><author>Dixon, M A G ; Duffy, J A ; Gardelis, S ; McCarthy, J E ; Cooper, M J ; Dugdale, S B ; Jarlborg, T ; Timms, D N</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c447t-f3e33347e84d9becdcdf2ca8249f8f85cfd2df1a88e6fc9219ae87d363955a333</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1998</creationdate><topic>Applied sciences</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Density functional theory, local density approximation</topic><topic>Electron states</topic><topic>Exact sciences and technology</topic><topic>Interactions of particles and radiation with matter</topic><topic>Metals. Metallurgy</topic><topic>Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation</topic><topic>Other interactions of matter with particles and radiation</topic><topic>Physics</topic><topic>Theories and models of many electron systems</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Dixon, M A G</creatorcontrib><creatorcontrib>Duffy, J A</creatorcontrib><creatorcontrib>Gardelis, S</creatorcontrib><creatorcontrib>McCarthy, J E</creatorcontrib><creatorcontrib>Cooper, M J</creatorcontrib><creatorcontrib>Dugdale, S B</creatorcontrib><creatorcontrib>Jarlborg, T</creatorcontrib><creatorcontrib>Timms, D N</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Journal of physics. Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Dixon, M A G</au><au>Duffy, J A</au><au>Gardelis, S</au><au>McCarthy, J E</au><au>Cooper, M J</au><au>Dugdale, S B</au><au>Jarlborg, T</au><au>Timms, D N</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Spin density in ferromagnetic nickel: a magnetic Compton scattering study</atitle><jtitle>Journal of physics. Condensed matter</jtitle><date>1998-03-30</date><risdate>1998</risdate><volume>10</volume><issue>12</issue><spage>2759</spage><epage>2771</epage><pages>2759-2771</pages><issn>0953-8984</issn><eissn>1361-648X</eissn><coden>JCOMEL</coden><abstract>The magnetic Compton profiles (MCPs) measured in the [100], [110], [111] and [112] directions in single-crystal nickel with an incident photon beam of energy 224 keV are presented and discussed. The momentum resolution achieved, of 0.43 atomic units, improves on previous studies by almost a factor of two, and facilitates the interpretation of the MCPs in terms of the underlying spin-dependent momentum densities. Calculations have been performed using the linear muffin-tin orbital method, within both the local spin-density approximation (LSDA) and the generalized gradient approximation (GGA). Comparison with experiment reveals the limitations of the LSDA at low momentum, where the GGA is better able to reproduce the contribution of the s- and p-like electrons. All of the calculations overestimate the moment associated with the d-like electrons, for momenta corresponding to the first Brillouin zone. We also confirm the existence of the so-called Umklapp shoulders, which derive from the Fermi surface topology.</abstract><cop>Bristol</cop><pub>IOP Publishing</pub><doi>10.1088/0953-8984/10/12/014</doi><tpages>13</tpages></addata></record> |
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| ispartof | Journal of physics. Condensed matter, 1998-03, Vol.10 (12), p.2759-2771 |
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| source | IOP Publishing Journals; Institute of Physics (IOP) Journals - HEAL-Link |
| subjects | Applied sciences Condensed matter: electronic structure, electrical, magnetic, and optical properties Density functional theory, local density approximation Electron states Exact sciences and technology Interactions of particles and radiation with matter Metals. Metallurgy Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation Other interactions of matter with particles and radiation Physics Theories and models of many electron systems |
| title | Spin density in ferromagnetic nickel: a magnetic Compton scattering study |
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