Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/19263
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | Role of exchange and correlation potential in calculating x-ray absorption spectra of half-metallic alloys: Mn and Cu K-edge XANES in Cu2MnM |
Autor: | Hatada, Keisuke CSIC ORCID; Chaboy, Jesús CSIC | Palabras clave: | Ab initio calculations Aluminium alloys Copper alloys Indium alloys Manganese alloys Tin alloys XANES |
Fecha de publicación: | sep-2007 | Editor: | American Chemical Society | Citación: | Organometallics 76(10): 104411.1-104411.6 (2007) | Resumen: | This work reports a theoretical study of the x-ray absorption near-edge structure spectra at both the Cu and the Mn K-edge in several Cu2MnM (M=Al, Sn, and In) Heusler alloys. Our results show that ab initio single-channel multiple-scattering calculations are able to reproduce the experimental spectra. Moreover, an extensive discussion is presented concerning the role of the final state potential needed to reproduce the experimental data of these half-metallic alloys. In particular, the effects of the cluster size and of the exchange and correlation potential needed in reproducing all the experimental x-ray absorption near edge structure features are discussed | Descripción: | 6 pages, 5 figures.-- PACS number(s) : 78.70.Dm, 61.10.Ht.-- ArXiv pre-print: http://arxiv.org/abs/0706.4370 | Versión del editor: | http://dx.doi.org/10.1103/PhysRevB.76.104411 | URI: | http://hdl.handle.net/10261/19263 | DOI: | 10.1103/PhysRevB.76.104411 | ISSN: | 0276-7333 |
Aparece en las colecciones: | (ICMA) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
GetPDFServlet.pdf | 322,6 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
SCOPUSTM
Citations
20
checked on 12-mar-2024
WEB OF SCIENCETM
Citations
17
checked on 27-feb-2024
Page view(s)
298
checked on 18-mar-2024
Download(s)
223
checked on 18-mar-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.