Abstract
Atomic clusters attached to a low-dimensional system, called Fano defects, produce rich wave interferences. In this work, we analytically found an enhanced thermoelectric figure-of-merit (Z7) in periodic atomic chains with Fano defects, compared with those without such defects. We further study self-assembled DNA-like systems with periodic and quasiperiodically placed Fano defects by using a real-space renormalization method developed for the Kubo-Greenwood formula, in which tight-binding and Born models are respectively used for the electric and lattice thermal conductivities. The results reveal that the quasiperiodicity could be another Z7”-improving factor, whose long-range disorder inhibits low-frequency acoustic phonons insensitive to local defects.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
C. Cheng and H. J. Fan: Branched nanowires: Synthesis and energy applications. Nano. Today. 7, 327–343 (2012).
A. E. Miroshnichenko, S. Flach, and Y. S. Kivshar: Fano resonances in nanoscale structures. Rev. Mod. Phys. 82, 2257–2298 (2010).
C. Ramirez and V. Sanchez: Kubo conductivity of macroscopic systems with Fano defects for periodic and quasiperiodic cases by means of renormalization methods in real space. Phys. Status Solidi A 210, 2431–2438 (2013).
C. Wang, C. Ramirez, F. Sanchez, and V. Sanchez: Ballistic conduction in macroscopic non-periodic lattices. Phys. Status Solidi B 252, 1370–1381 (2015).
V. Sanchez and C. Wang: Improving the ballistic AC conductivity through quantum resonance in branched nanowires. Philos. Mag. 95, 326–333 (2015).
E. Macia: DNA-based thermoelectric devices: a theoretical prospective. Phys. Rev. B 75, 035130 (2007).
E. Macia-Barber: Thermoelectric Materials - Advances and Applications (CRC Press of Taylor & Francis Group, Boca Raton USA, 2015) p. 38.
T. M. Tritt (ed.): Thermal Conductivity - Theory, Properties and Applications (Kluwer Academic-Plunum Pub., New York, 2004) p. 3.
H. H. Fu, L. Gu, D. D. Wu, and Z. Q. Zhang: Enhancement of the thermoelectric figure of merit in DNA-like systems induced by Fano and Dicke effects. Phys. Chem. Chem. Phys. 17, 11077–11087 (2015).
T. Markussen: Surface disordered Ge-Si core-shell nanowires as efficient thermoelectric materials. Nano Lett. 12, 4698–4704 (2012).
E. N. Economou: Green’s Functions in Quantum Physics, 3rd ed. (Springer-Verlag, Berlin, 2006) p. 6.
J. K. Flicker and P. L. Leath: Lattice thermal conductivity in high-concentration mixed crystals. Phys. Rev. B 7, 2296–2305 (1973).
P. Alfaro, R. Cisneros, M. Bizarro, M. Cruz-lrisson, and C. Wang: Raman scattering by confined optical phonons in Si and Ge nanostructures. Nanoscale. 3, 1246–1251 (2011).
C. Wang, F. Salazar, and V. Sanchez: Renormalization plus convolution method for atomic-scale modeling of electrical and thermal transport in nanowires. Nano Lett. 8, 4205–4209 (2008).
V. Sanchez and C. Wang: Application of renormalization and convolution methods to the Kubo-Greenwood formula in multidimensional Fibonacci systems. Phys. Rev. B 70, 144207 (2004).
A. Nandy, B. Pal, and A. Chakrabarti: Tight-binding chains with off-diagonal disorder: Bands of extended electronic states induced by minimal quasi-one-dimensionality. EPL-Europhys. Lett. 115, 37004 (2016).
J. C. Cuevas and E. Scheer: Molecular Electronics: An Introduction to Theory and Experiment (World Scientific Publishing, Singapore, 2010) P. 6.
G. Cuniberti, L. Craco, D. Porath, and C. Dekker: Backbone-induced semiconducting behavior in short DNA wires. Phys. Rev. 665, 241314 (2011).
G. Cuniberti, E. Macia, A. Rodriguez, and R. A. Römer: Tight-binding modeling of charge migration in DNA devices. In Charge Migration in DNA; T. Chakraborty ed.; Springer-Verlag, Berlin, 2007; p. 3.
A. M. Guo, S. J. Xiong, Z. Yang, and H. J. Zhu: Enhancement of transport in DNA-like systems induced by backbone disorder. Phys. Rev. E 78, 061922 (2008).
A. M. Guo, Z. Yang, H. J. Zhu, and S. J. Xiong: Influence of backbone on the charge transport properties of G4-DNA molecules: a model-based calculation. J. Phys:. Condens. Matter 11, 065102 (2010).
Y. Li, L. Xiang, J. L. Palma, Y. Asai, and N. Tao: Thermoelectric effect and its dependence on molecular length and sequence in single DNA molecules. Nat. Commun. 7, 11294 (2016).
C. Maffeo, T. T. M. Ngo, T. Ha, and A. Aksimentiev: A coarse-grained model of unstructured single-stranded DNA derived from atomistic simulation and single-molecule experiment. J. Chem. Theory Comput. 10, 2891–2896 (2014).
M. Krisch, A. Mermet, H. Grimm, V. T. Forsyth, and A. Rupprecht: Phonon dispersion of oriented DNA by inelastic x-ray scattering. Phys. Rev. E 73, 061909 (2006).
L.V. Yakushevich: Nonlinear Physics of DNA, 2nd ed.; Wiley-VCH, Weinheim, 2004) p. 174.
N. A. Kovaleva, L. I. Manevich, A. I. Musienko, and A. V. Savin: Low frequency localized oscillations of the DNA double strand. Polym. Sci. Ser. A 51, 833–847 (2009).
J. E. Gonzalez, V. Sanchez, and C. Wang: Improving thermoelectric properties of nanowires through inhomogeneity. J. Electron. Mater. 46, 2724–2736 (2017).
Y. Tian, M. R. Sakr, J. M. Kinder, D. Liang, M. J. MacDonald, R. L. J. Qiu, H.-J. Gao, and X. P. A. Gao: One-dimensional quantum confinement effect modulated thermoelectric properties in InAs nanowires. Nano Lett 12, 6492–6497 (2012).
Acknowledgments
This work has been partially supported by CONACyT-252943, UNAM-PAPIIT-IN114916 and UNAM-PAPIIT-IN116317. Computations were performed at Miztli of DGTIC-UNAM.
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Eduardo Gonzalez, J., Sanchez, V. & Wang, C. Resonant thermoelectric transport in atomic chains with Fano defects. MRS Communications 8, 248–256 (2018). https://doi.org/10.1557/mrc.2018.84
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1557/mrc.2018.84