Bryan M. Wong, Simon H. Ye, Greg O'Bryan
It has recently been shown that electronic transport in zigzag graphene
nanoribbons becomes spin-polarized upon application of an electric field across
the nanoribbon width. However, the electric fields required to experimentally
induce this magnetic state are typically large and difficult to apply in
practice. Here, using both first-principles density functional theory (DFT) and
time-dependent DFT, we show that a new spiropyran-based, mechanochromic polymer
noncovalently deposited on a nanoribbon can collectively function as a dual
opto-mechanical switch for modulating its own spin-polarization. These
calculations demonstrate that upon mechanical stress or photoabsorption, the
spiropyran chromophore isomerizes from a closed-configuration ground-state to a
zwitterionic excited-state, resulting in a large change in dipole moment that
alters the electrostatic environment of the nanoribbon. We show that the
electronic spin-distribution in the nanoribbon-spiropyran hybrid material can
be reversibly modulated via noninvasive optical and mechanical stimuli without
the need for large external electric fields. Our results suggest that the
reversible spintronic properties inherent to the nanoribbon-spiropyran material
allow the possibility of using this hybrid structure as a resettable,
molecular-logic quantum sensor where opto-mechanical stimuli are used as inputs
and the spin-polarized current induced in the nanoribbon substrate is the
measured output.
View original:
http://arxiv.org/abs/1202.0809
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