Computational modeling and analysis of thermoelectric properties of nanoporous silicon

Journal of Applied Physics

Volumn 115, Issue 12, 2014, Pages

  Li, H ^a   Yu, Y ^a   Li, G ^a  

^a Clemson University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRIC CONDUCTIVITY; FINITE VOLUME METHOD; NANOPORES; PHONONS; POROSITY; QUANTUM CHEMISTRY; SEEBECK COEFFICIENT; SILICON; THERMOELECTRIC ENERGY CONVERSION; THERMOELECTRIC EQUIPMENT; THERMOELECTRICITY;

BOLTZMANN TRANSPORT EQUATION; COMPUTATIONAL APPROACH; ELECTRICAL CONDUCTIVITY; ELECTRONIC THERMAL CONDUCTIVITY; NON-EQUILIBRIUM GREEN'S FUNCTION; PHONON THERMAL CONDUCTIVITY; PHONON THERMAL TRANSPORT; THERMOELECTRIC PROPERTIES;

THERMAL CONDUCTIVITY;

EID: 84898049001     PISSN: 00218979     EISSN: 10897550     Source Type: Journal    
DOI: 10.1063/1.4869734     Document Type: Article

References (52)

1. G. Mahan, B. Sales, and J. Sharp, " Thermoelectric materials: New approaches to an old problem," Phys. Today 50 (3), 42-47 (1997). 10.1063/1.881752
2. F. J. DiSalvo, " Thermoelectric cooling and power generation," Science 285 (5428), 703-706 (1999). 10.1126/science.285.5428.703
3. L. E. Bell, " Cooling, heating, generating power, and recovering waste heat with thermoelectric systems," Science 321 (5895), 1457-1461 (2008). 10.1126/science.1158899
4. G. Chen, M. S. Dresselhaus, G. Dresselhaus, J. P. Fleurial, and T. Caillat, " Recent developments in thermoelectric materials," Int. Mater. Rev. 48 (1), 45-66 (2003). 10.1179/095066003225010182
5. J. R. Szczech, J. M. Higgins, and S. Jin, " Enhancement of the thermoelectric properties in nanoscale and nanostructured materials," J. Mater. Chem. 21, 4037-4055 (2011). 10.1039/c0jm02755c
6. D. Y. Chung, T. Hogan, P. Brazis, M. Rocci-Lane, C. R. Kannewurf et al., " Csbi(4)te(6): A high-performance thermoelectric material for low-temperature applications alloy," Science 287 (5455), 1024-1027 (2000). 10.1126/science.287.5455.1024
7. R. Venkatasubramanian, E. Siivola, T. Colpitts, and B. O'Quinn, " Thin-film thermoelectric devices with high room-temperature figures of merit," Nature 413, 597-602 (2001) 10.1038/35098012.
8. T. C. Harman, P. J. Taylor, M. P. Walsh, and B. E. LaForge, " Quantum dot superlattice thermoelectric materials and devices," Science 297 (5590), 2229-2232 (2002). 10.1126/science.1072886
9. L. Shi, D. Yao, G. Zhang, and B. Li, " Size dependent thermoelectric properties of silicon nanowires," Appl. Phys. Lett. 95 (6), 063102 (2009). 10.1063/1.3204005
10. Y. Hasegawa, Y. Murata, D. Nakamura, T. Komine, T. Taguchi, and S. Nakamura, " Mobility estimation in microsized bismuth wire arrays," J. Appl. Phys. 105 (10), 103715 (2009). 10.1063/1.3133136
11. A. I. Boukai, Y. Bunimovich, J. Tahir-Kheli, and J. K. Yu, " Silicon nanowires as efficient thermoelectric materials," Nature 451, 168-171 (2008). 10.1038/nature06458
12. C. Bera, M. Soulier, C. Navone, G. Roux, J. Simon, S. Volz, and N. Mingo, " Thermoelectric properties of nanostructured s i 1 - x g e x and potential for further improvement," J. Appl. Phys. 108 (12), 124306 (2010). 10.1063/1.3518579
13. A. J. Minnich, H. Lee, X. W. Wang, G. Joshi, M. S. Dresselhaus, Z. F. Ren, G. Chen, and D. Vashaee, " Modeling study of thermoelectric sige nanocomposites," Phys. Rev. B 80, 155327 (2009). 10.1103/PhysRevB.80.155327
14. L. T. Canham, W. Y. Leong, M. I. J. Beale, T. I. Cox, and L. Taylor, " Efficient visible electroluminescence from highly porous silicon under cathodic bias," Appl. Phys. Lett. 61 (21), 2563-2565 (1992). 10.1063/1.108127
15. J. Tang, H. Wang, D. Lee, M. Fardy, Z. Huo, T. Russell, and P. Yang, " Holey silicon as an efficient thermoelectric material," Nano Lett. 10 (10), 4279-4283 (2010). 10.1021/nl102931z
16. J. Lee, G. A. Galli, and J. C. Grossman, " Nanoporous si as an efficient thermoelectric material," Nano Lett. 8 (11), 3750-3754 (2008). 10.1021/nl802045f
17. S. Datta, Electronic Transport in Mesoscopic Systems, Cambridge Studies in Semiconductor Physics and Microelectronic Engineering (Cambridge University Press, 1997).
18. R. Venugopal, M. Paulsson, S. Goasguen, S. Datta, and M. S. Lundstrom, " A simple quantum mechanical treatment of scattering in nanoscale transistors," J. Appl. Phys. 93 (9), 5613-5625 (2003). 10.1063/1.1563298
19. Y. Xu and G. Li, " Strain effect analysis on phonon thermal conductivity of two-dimensional nanocomposites," J. Appl. Phys. 106 (11), 114302 (2009). 10.1063/1.3259383
20. A. J. Minnich, M. S. Dresselhaus, Z. F. Ren, and G. Chen, " Bulk nanostructured thermoelectric materials: Current research and future prospects," Energy Environ. Sci. 2, 466-479 (2009). 10.1039/b822664b
21. R. Kim and M. S. Lundstrom, " Computational study of the seebeck coefficient of one-dimensional composite nano-structures," J. Appl. Phys. 110 (3), 034511 (2011). 10.1063/1.3619855
22. J. Jiang, J. Wang, and B. Li, " A nonequilibrium green's function study of thermoelectric properties in single-walled carbon nanotubes," J. Appl. Phys. 109 (1), 014326 (2011). 10.1063/1.3531573
23. S. V. J. Narumanchi, J. Y. Murthy, and C. H. Amon, " Boltzmann transport equation-based thermal modeling approaches for hotspots in microelectronics," Heat Mass Transfer 42, 478-491 (2006). 10.1007/s00231-005-0645-6
24. A. J. H. McGaughey and M. Kaviany, " Erratum: Quantitative validation of the boltzmann transport equation phonon thermal conductivity model under the single-mode relaxation time approximation [Phys. Rev. B 69, 094303 (2004)]," Phys. Rev. B 79, 189901 (2009). 10.1103/PhysRevB.79.189901
25. S. Li, H. Chu, and W. Yan, " Numerical study of phonon radiative transfer in porous nanostructures," Int. J. Heat Mass Transfer 51 (15-16), 3924-3931 (2008). 10.1016/j.ijheatmasstransfer.2008.01.004
26. A. Rahman and M. S. Lundstrom, " A compact scattering model for the nanoscale double-gate mosfet," IEEE Trans. Electron Devices 49 (3), 481-489 (2002). 10.1109/16.987120
27. Z. Ren, R. Venugopal, S. Goasguen, S. Datta, and M. S. Lundstrom, " nanomos 2.5: A two-dimensional simulator for quantum transport in double-gate mosfets," IEEE Trans. Electron Devices 50 (9), 1914-1925 (2003) 10.1109/TED.2003.816524.
28. x nanocomposite thin films," Solid-State Electron. 85 (0), 64-73 (2013). 10.1016/j.sse.2013.03.009
29. R. Yang and G. Chen, " Thermal conductivity modeling of periodic two-dimensional nanocomposites," Phys. Rev. B 69, 195316 (2004). 10.1103/PhysRevB.69.195316
30. A. Pattamatta and C. K. Madnia, " Modeling heat transfer in bi2te3-sb2te3 nanostructures," Int. J. Heat Mass Transfer 52, 860-869 (2009). 10.1016/j.ijheatmasstransfer.2008.09.004
31. D. T. Morelli, J. P. Heremans, and G. A. Slack, " Estimation of the isotope effect on the lattice thermal conductivity of group iv and group iii-v semiconductors," Phys. Rev. B 66, 195304 (2002). 10.1103/PhysRevB.66.195304
32. M. Asen-Palmer, K. Bartkowski, E. Gmelin, M. Cardona, A. P. Zhernov, A. V. Inyushkin, A. Taldenkov, V. I. Ozhogin, K. M. Itoh, and E. E. Haller, " Thermal conductivity of germanium crystals with different isotopic compositions," Phys. Rev. B 56, 9431-9447 (1997). 10.1103/PhysRevB.56.9431
33. M. Kazan, S. Pereira, J. Coutinho, M. R. Correia, and P. Masri, " Role of optical phonon in ge thermal conductivity," Appl. Phys. Lett. 92 (21), 211903 (2008). 10.1063/1.2937113
34. M. Kazan, G. Guisbiers, S. Pereira, M. R. Correia, P. Masri, A. Bruyant, S. Volz, and P. Royer, " Thermal conductivity of silicon bulk and nanowires: Effects of isotopic composition, phonon confinement, and surface roughness," J. Appl. Phys. 107 (8), 083503 (2010). 10.1063/1.3340973
35. G. A. Slack and S. Galginaitis, " Thermal conductivity and phonon scattering by magnetic impurities in cdte," Phys. Rev. 133, A253-A268 (1964). 10.1103/PhysRev.133.A253
36. P. G. Klemens, " The scattering of low-frequency lattice waves by static imperfections," Proc. Phys. Soc., London, Sect. A 68 (12), 1113 (1955). 10.1088/0370-1298/68/12/303
37. M. Asheghi, K. Kurabayashi, R. Kasnavi, and K. E. Goodson, " Thermal conduction in doped single-crystal silicon films," J. Appl. Phys. 91 (8), 5079-5088 (2002). 10.1063/1.1458057
38. R. Berman, Thermal Conduction in Solids, Oxford Studies in Physics (Clarendon Press, 1976).
39. J. M. Ziman, " The effect of free electrons on lattice conduction," Philos. Mag. 1, 191 (1956) 10.1080/14786435608238092.
40. J. M. Ziman, Electrons and Phonons: The Theory of Transport Phenomena in Solids, Oxford Classic Texts in the Physical Sciences (Clarendon Press, 2001).
41. H. Zhao, Z. Tang, G. Li, and N. R. Aluru, " Quasiharmonic models for the calculation of thermodynamic properties of crystalline silicon under strain," J. Appl. Phys. 99 (6), 064314 (2006). 10.1063/1.2185834
42. G. Chen, " Size and interface effects on thermal conductivity of superlattices and periodic thin-film structures," J. Heat Transfer 119 (2), 220-229 (1997). 10.1115/1.2824212
43. G. Chen, " Thermal conductivity and ballistic-phonon transport in the cross-plane direction of superlattices," Phys. Rev. B 57, 14958-14973 (1998). 10.1103/PhysRevB.57.14958
44. A. Balandin and K. L. Wang, " Significant decrease of the lattice thermal conductivity due to phonon confinement in a free-standing semiconductor quantum well," Phys. Rev. B 58, 1544-1549 (1998). 10.1103/PhysRevB.58.1544
45. J. Zou and A. Balandin, " Phonon heat conduction in a semiconductor nanowire," J. Appl. Phys. 89 (5), 2932-2938 (2001). 10.1063/1.1345515
46. A. Majumdar, " Microscale heat conduction in dielectric thin films," J. Heat Transfer 115 (1), 7-16 (1993). 10.1115/1.2910673
47. J. Wang, E. Polizzi, A. Ghosh, S. Datta, and M. Lundstrom, " Theoretical investigation of surface roughness scattering in silicon nanowire transistors," Appl. Phys. Lett. 87 (4), 043101 (2005). 10.1063/1.2001158
48. S. M. Sze, Physics of Semiconductor Devices, Wiley-Interscience Publication (John Wiley & Sons, 1981).
49. Z. Wang, S. Wang, S. Obukhov, N. Vast, J. Sjakste, V. Tyuterev, and N. Mingo, " Thermoelectric transport properties of silicon: Toward an ab initio approach," Phys. Rev. B 83 (20), 205208 (2011). 10.1103/PhysRevB.83. 205208
50. N. D. Arora, J. R. Hauser, and D. J. Roulston, " Electron and hole mobilities in silicon as a function of concentration and temperature," IEEE Trans. Electron Devices 29 (2), 292-295 (1982). 10.1109/T-ED.1982.20698
51. N. Neophytou and H. Kosina, " On the interplay between electrical conductivity and seebeck coefficient in ultra-narrow silicon nanowires," J. Electron. Mater. 41 (6), 1305-1311 (2012). 10.1007/s11664-011-1891-7
52. N. Neophytou and H. Kosina, " Effects of confinement and orientation on the thermoelectric power factor of silicon nanowires," Phys. Rev. B 83, 245305 (2011). 10.1103/PhysRevB.83.245305