Hyperfine and magnetic properties of Fe-Cu clusters and Fe precipitates embedded in a Cu matrix
| Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
|---|---|
| Data(s) |
20/10/2012
20/10/2012
2009
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| Resumo |
Using the first-principles real-space linear muffin-tin orbital method within the atomic sphere approximation (RS-LMTO-ASA) we study hyperfine and local magnetic properties of substituted pure Fe and Fe-Cu clusters in an fcc Cu matrix. Spin and orbital contributions to magnetic moments, hyperfine fields and the Mossbauer isomer shifts at the Fe sites in Fe precipitates and Fe-Cu alloy clusters of sizes up to 60 Fe atoms embedded in the Cu matrix are calculated and the influence of the local environment on these properties is discussed. FAPESP Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Fundação Amazônia Paraense de Amparo à Pesquisa (FAPESPA) FAPESPA CNPq Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) INEO INEO Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) FAPESP[2004/08928-3] |
| Identificador |
JOURNAL OF PHYSICS-CONDENSED MATTER, v.21, n.50, 2009 0953-8984 http://producao.usp.br/handle/BDPI/29377 10.1088/0953-8984/21/50/506001 |
| Idioma(s) |
eng |
| Publicador |
IOP PUBLISHING LTD |
| Relação |
Journal of Physics-condensed Matter |
| Direitos |
restrictedAccess Copyright IOP PUBLISHING LTD |
| Palavras-Chave | #FEXCU100-X SOLID-SOLUTIONS #SPIN-DENSITY-WAVE #X-RAY-ABSORPTION #CUBIC GAMMA-FE #3D IMPURITIES #REAL-SPACE #AB-INITIO #FCC IRON #THERMAL-STABILITY #CU(001) SURFACES #Physics, Condensed Matter |
| Tipo |
article original article publishedVersion |
