Proposal for a single-molecule field-effect transistor for phonons

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 1, 2010, Pages

  Menezes, Marcos G ^a   Saraiva Souza, Aldilene ^b   Del Nero, Jordan ^a,b   Capaz, Rodrigo B ^a  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b FEDERAL UNIVERSITY OF PARÁ   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77954813745     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.012302     Document Type: Article

References (24)

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7. The device will work in the ballistic regime if the mean-free path for phonons is larger than the chain size. Although this still a matter of scientific debate, there is strong numerical evidence that the mean-free path in one-dimensional chains is actually divergent in the thermodynamic limit, thus justifying calculations in the ballistic regime (Refs.).
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17. All geometrical parameters and dipole moments are calculated for zero electric field but we estimate the changes in dipole moments and moments of inertia at finite fields (10 MV/cm) by doing ab initio calculations on monomers. The dipole moments of PVC, PPy, and PDVF increase by 9%, 15%, and 5%, respectively, with respect to their zero-field values. The changes in moments of inertia are considerably smaller, less than 0.1%, and therefore they can be neglected. So, treating consistently the electronic and geometrical structures for finite fields would actually increase the conductance modulation since the dipole moments and their coupling with the field would be larger.
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20. Basically, if the oligomer is large enough so that the gap induced by its finite size is much smaller than the operating temperature of the device, the calculations performed for the infinite chain will describe correctly the thermal conductance modulation. Since we are dealing with acoustic modes with linear dispersion and sound velocity v, the low-energy phonon gap for a finite chain of length L will be h v / 2 L, where h is the Planck constant. Therefore, the chain length must satisfy L > L c = h v / 2 k T. Of course, for each different molecule and temperature one has a different value of L c. In order to provide a typical example, we calculate from first principles the sound velocity for the acoustic torsion mode in PPy to be v = 7.7 km / s. Then, for T = 10 K, one has L c = 21 nm, which is equivalent to approximately 50 monomers.
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