Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 120, Issue 13, Pages 7088-7093Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.5b11660
Keywords
-
Funding
- NSFC [21525311, 21173040, 21373045]
- NSF of Jiangsu [BK20130016]
- SRFDP [20130092110029]
- Scientific Research Foundation of Graduate School of Southeast University in China [YBJJ1563]
Ask authors/readers for more resources
The structural, electronic, and magnetic properties of two kinds of boron-doped europium cydooctatetraene sandwich molecular wires (SMWs), [EuCOTB](infinity) and [Eu-COTB-Eu-COT](infinity) (Eu = europium, COT = cydooctatetraene = C8H8, COTB = boratacyclooctatetraene), are investigated with spin-polarized density functional theory. Both SMWs are of high stability and ultrahigh magnetic moments, and the [Eu-COTB-Eu-COT](infinity) SMW even owns half-metallic characteristics. Our calculations further reveal that the [Eu-COTB-Eu-COT] SMW anchored on a semiconductor germanium surface is a quasi-half metallic ferromagnet, and it can be tuned into full half-metallicity under a mild external electric field. The unveiled intriguing properties here suggest that the boron-doped europium cydooctatetraene SMWs may be compelling candidates for future spintronics devices.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available