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Abstract:
The structural, electronic and magnetic properties of Fe nanowire encapsulated in zigzag (n,0) BNNTs (8 <= n <= 15) have been investigated systematically using the first-principles PAW potential within DFT under GGA. Among the eight Fe@(n,0) systems, only the Fe@(8,0) system is formed endothermically, the other larger systems are formed exothermically. Therefore it is expected that thicker Fe nanowires would be pulled spontaneously into larger BNNTs by forces amounting to a fraction of a nanonewton. The high spin polarization and magnetic moments of the Fe@(n,0) systems coming solely from the Fe nanowire imply the Fe@(n,0) systems can be applied to the circuits that demand preferential transport of electrons with a specific spin, in particular for Fe@(12,0) and Fe@(13,0) systems. (C) 2009 Elsevier B.V. All rights reserved.
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PHYSICA B-CONDENSED MATTER
ISSN: 0921-4526
Year: 2010
Issue: 4
Volume: 405
Page: 1035-1039
0 . 8 5 6
JCR@2010
2 . 4 3 6
JCR@2020
ESI Discipline: PHYSICS;
JCR Journal Grade:3
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 16
SCOPUS Cited Count: 16
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 4
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