First-principles study of ultrathin 2 imes 2 Gd nanowires encapsulated in carbon nanotubes - Condensed Matter > Materials ScienceReportar como inadecuado




First-principles study of ultrathin 2 imes 2 Gd nanowires encapsulated in carbon nanotubes - Condensed Matter > Materials Science - Descarga este documento en PDF. Documentación en PDF para descargar gratis. Disponible también para leer online.

Abstract: Using density functional calculations, we investigate the structural andmagnetic properties of ultrathin Gd and Gd-carbide nanowires NWs encapsulatedin narrow carbon nanotubes CNTs. The equilibrium geometry of an encapsulated2 \times 2 Gd-NW is markedly different from that of bulk Gd crystals. Thecharge-density analysis shows pronounced spin-dependent electron transfer inthe encapsulated Gd-NW in comparison with that of Gd-carbide NWs. We concludethat Gd-CNT hybridization is primarily responsible for both the structuraldifference and electron transfer in the encapsulated Gd-NW.



Autor: Jae-Hyeon Parq, Jaejun Yu, Gunn Kim

Fuente: https://arxiv.org/







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