English   español  
Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/103231
Compartir / Impacto:
Estadísticas
Add this article to your Mendeley library MendeleyBASE
Ver citas en Google académico
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar otros formatos: Exportar EndNote (RIS)Exportar EndNote (RIS)Exportar EndNote (RIS)
Título

Wannier-based description of orbital magnetic effects in ferromagnets

Autor Souza, Ivo
Fecha de publicación 2012
EditorCSIC - Instituto de Ciencia de Materiales de Barcelona (ICMAB)
Citación Workshop mini 2012
ResumenI will discuss the use of Wannier functions (WFs) to calculate two basic quantities in spin-orbitcoupled ferromagnets: the anomalous Hall conductivity (AHC) and the spontaneous orbital magnetization. Both can be expressed as integrals over the Fermi sea: of the Berry curvature for the former, and of a related, but more complex object, for latter. These quantities display strong and rapid variations in k-space, demanding very dense integration meshes. By working in the representation of WFs spanning the valence and low-lying conduction bands, it becomes possible to evaluate quickly and accurately the required quantities across the BZ, in the spirit of Slater-Koster interpolation. This >Wannier interpolation> scheme circumvents the need to treat the integration mesh directly from first-principles, with considerable savings in computer time (the WFs themselves can be generated from an ab initio calculation on a relatively coarse k-point mesh). Results will be presented for the transition metals Fe, Co, and Ni, and for the ordered ferromagnetic alloys FePt and FePd.
Descripción Trabajo presentado al: "Workshop mini on Computational Condensed Matter Physics, Materials Science and Nanoscience from Frist Priciples" celebrado en Barcelona (España) del 12 al 14 de Enero de 2012.
URI http://hdl.handle.net/10261/103231
Aparece en las colecciones: (CFM) Comunicaciones congresos
Ficheros en este ítem:
Fichero Descripción Tamaño Formato  
accesoRestringido.pdf15,38 kBAdobe PDFVista previa
Visualizar/Abrir
Mostrar el registro completo
 


NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.