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Electric-Field Control of Spin-Polarization and Semiconductor-to-Metal Transition in Carbon-Atom-Chain Devices
Institute Federal Baiano, Brazil.
University of Federal Bahia, Brazil.
University of Federal Bahia, Brazil.
Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0001-9402-1491
2017 (engelsk)Inngår i: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, nr 46, s. 26125-26132Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

We propose hybrid molecular systems containing small carbon atomic chains interconnected by graphene-like flakes, theoretically predicted as true energy minima, as low-dimensional structures that may be useful in electronic devices at the limit of the atomic miniaturization. The effects of an external electric field applied along the direction of the carbon chains indicate that it is possible to control energy gap and spin polarization with sufficiently high strength, within the limit of the structural restoring of the systems. In this sense, by applying electric fields with magnitudes in the 1-5 V/nm range, we obtain semiconductor-to-metallic transitions for all odd-numbered carbon-chain systems proposed here. Furthermore, high-spin-to-low-spin transitions are determined for these systems as a function of the electric-field magnitude. In the case of the even-numbered carbon-chain systems, the overall electric field effect is pushing electron density near the Fermi level, leading to a gapless or metallic regime at 3.0 V/nm. An electric-field control of the spin-polarization of these latter systems is only achieved by doping the extremities of the graphene-like terminations with sulfur atoms. This finding, however, is beneficial for applications of these systems in spin controlled carbon-based devices connected by gold electrodes, even in the presence of a weak spin-orbit coupling.

sted, utgiver, år, opplag, sider
AMER CHEMICAL SOC , 2017. Vol. 121, nr 46, s. 26125-26132
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URN: urn:nbn:se:liu:diva-143634DOI: 10.1021/acs.jpcc.7b09447ISI: 000416496200057OAI: oai:DiVA.org:liu-143634DiVA, id: diva2:1165567
Merknad

Funding Agencies|CNPq; CAPES; Swedish Research Council (VR) through Swedish Research Links project [348-2014-4249]; FLAG-ERA JTC project GRIFONE; Carl Tryggers Foundation for Scientific Research [CTS 16:165]; [VR 621-2013-5818]

Tilgjengelig fra: 2017-12-13 Laget: 2017-12-13 Sist oppdatert: 2018-01-11

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