Hostname: page-component-848d4c4894-8kt4b Total loading time: 0 Render date: 2024-06-21T22:42:22.938Z Has data issue: false hasContentIssue false

Resonant thermoelectric transport in atomic chains with Fano defects

Published online by Cambridge University Press:  02 May 2018

J. Eduardo González
Affiliation:
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, 04510 Mexico City, Mexico
Vicenta Sánchez
Affiliation:
Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, 04510 Mexico City, Mexico
Chumin Wang*
Affiliation:
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, 04510 Mexico City, Mexico
*
Address all correspondence to Chumin Wang at chumin@unam.mx
Get access

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 (ZT) 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 ZT-improving factor, whose long-range disorder inhibits low-frequency acoustic phonons insensitive to local defects.

Type
Research Letters
Copyright
Copyright © Materials Research Society 2018 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1.Cheng, C. and Fan, H. J.: Branched nanowires: Synthesis and energy applications. Nano. Today. 7, 327343 (2012).CrossRefGoogle Scholar
2.Miroshnichenko, A. E., Flach, S., and Kivshar, Y. S.: Fano resonances in nanoscale structures. Rev. Mod. Phys. 82, 22572298 (2010).CrossRefGoogle Scholar
3.Ramírez, C. and Sánchez, V.: 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, 24312438 (2013).CrossRefGoogle Scholar
4.Wang, C., Ramírez, C., Sánchez, F., and Sánchez, V.: Ballistic conduction in macroscopic non-periodic lattices. Phys. Status Solidi B 252, 13701381 (2015).CrossRefGoogle Scholar
5.Sánchez, V. and Wang, C.: Improving the ballistic AC conductivity through quantum resonance in branched nanowires. Philos. Mag. 95, 326333 (2015).CrossRefGoogle Scholar
6.Maciá, E.: DNA-based thermoelectric devices: a theoretical prospective. Phys. Rev. B 75, 035130 (2007).CrossRefGoogle Scholar
7.Maciá-Barber, E.: Thermoelectric Materials - Advances and Applications (CRC Press of Taylor & Francis Group, Boca Raton USA, 2015) p. 38.CrossRefGoogle Scholar
8.Tritt, T. M. (ed.): Thermal Conductivity - Theory, Properties and Applications (Kluwer Academic-Plunum Pub., New York, 2004) p. 3.CrossRefGoogle Scholar
9.Fu, H. H., Gu, L., Wu, D. D., and Zhang, Z. Q.: Enhancement of the thermoelectric figure of merit in DNA-like systems induced by Fano and Dicke effects. Phys. Chem. Chem. Phys. 17, 1107711087 (2015).CrossRefGoogle ScholarPubMed
10.Markussen, T.: Surface disordered Ge-Si core-shell nanowires as efficient thermoelectric materials. Nano Lett. 12, 46984704 (2012).CrossRefGoogle ScholarPubMed
11.Economou, E. N.: Green's Functions in Quantum Physics, 3rd ed. (Springer-Verlag, Berlin, 2006) p. 6.CrossRefGoogle Scholar
12.Flicker, J. K. and Leath, P. L.: Lattice thermal conductivity in high-concentration mixed crystals. Phys. Rev. B 7, 22962305 (1973).CrossRefGoogle Scholar
13.Alfaro, P., Cisneros, R., Bizarro, M., Cruz-Irisson, M., and Wang, C.: Raman scattering by confined optical phonons in Si and Ge nanostructures. Nanoscale. 3, 12461251 (2011).CrossRefGoogle Scholar
14.Wang, C., Salazar, F., and Sánchez, V.: Renormalization plus convolution method for atomic-scale modeling of electrical and thermal transport in nanowires. Nano Lett. 8, 42054209 (2008).CrossRefGoogle ScholarPubMed
15.Sánchez, V. and Wang, C.: Application of renormalization and convolution methods to the Kubo-Greenwood formula in multidimensional Fibonacci systems. Phys. Rev. B 70, 144207 (2004).CrossRefGoogle Scholar
16.Nandy, A., Pal, B., and Chakrabarti, A.: Tight-binding chains with off-diagonal disorder: Bands of extended electronic states induced by minimal quasi-one-dimensionality. EPL-Europhys. Lett. 115, 37004 (2016).CrossRefGoogle Scholar
17.Cuevas, J. C. and Scheer, E.: Molecular Electronics: An Introduction to Theory and Experiment (World Scientific Publishing, Singapore, 2010) p. 6.CrossRefGoogle Scholar
18.Cuniberti, G., Craco, L., Porath, D., and Dekker, C.: Backbone-induced semiconducting behavior in short DNA wires. Phys. Rev. B 65, 241314 (2011).CrossRefGoogle Scholar
19.Cuniberti, G., Maciá, E., Rodríguez, A., and Römer, R. A.: Tight-binding modeling of charge migration in DNA devices. In Charge Migration in DNA; Chakraborty, T. ed.; Springer-Verlag, Berlin, 2007; p. 3.Google Scholar
20.Guo, A. M., Xiong, S. J., Yang, Z., and Zhu, H. J.: Enhancement of transport in DNA-like systems induced by backbone disorder. Phys. Rev. E 78, 061922 (2008).CrossRefGoogle ScholarPubMed
21.Guo, A. M., Yang, Z., Zhu, H. J., and Xiong, S. J.: Influence of backbone on the charge transport properties of G4-DNA molecules: a model-based calculation. J. Phys.: Condens. Matter 22, 065102 (2010).Google ScholarPubMed
22.Li, Y., Xiang, L., Palma, J. L., Asai, Y., and Tao, N.: Thermoelectric effect and its dependence on molecular length and sequence in single DNA molecules. Nat. Commun. 7, 11294 (2016).CrossRefGoogle ScholarPubMed
23.Maffeo, C., Ngo, T. T. M., Ha, T., and Aksimentiev, A.: A coarse-grained model of unstructured single-stranded DNA derived from atomistic simulation and single-molecule experiment. J. Chem. Theory Comput. 10, 28912896 (2014).CrossRefGoogle ScholarPubMed
24.Krisch, M., Mermet, A., Grimm, H., Forsyth, V. T., and Rupprecht, A.: Phonon dispersion of oriented DNA by inelastic x-ray scattering. Phys. Rev. E 73, 061909 (2006).CrossRefGoogle ScholarPubMed
25.Yakushevich, L. V.: Nonlinear Physics of DNA, 2nd ed.; Wiley-VCH, Weinheim, 2004) p. 174.CrossRefGoogle Scholar
26.Kovaleva, N. A., Manevich, L. I., Musienko, A. I., and Savin, A. V.: Low frequency localized oscillations of the DNA double strand. Polym. Sci. Ser. A 51, 833847 (2009).CrossRefGoogle Scholar
27.González, J. E., Sánchez, V., and Wang, C.: Improving thermoelectric properties of nanowires through inhomogeneity. J. Electron. Mater. 46, 27242736 (2017).CrossRefGoogle Scholar
28.Tian, Y., Sakr, M. R., Kinder, J. M., Liang, D., MacDonald, M. J., Qiu, R. L. J., Gao, H.-J., and Gao, X. P. A.: One-dimensional quantum confinement effect modulated thermoelectric properties in InAs nanowires. Nano Lett. 12, 64926497 (2012).CrossRefGoogle ScholarPubMed