Colossal phonon drag enhanced thermopower in lightly doped diamond

Li, C.; Protik, N. H.; Ordejón, P.; Broido, D.

doi:10.1016/j.mtphys.2022.100740

Title: Colossal phonon drag enhanced thermopower in lightly doped diamond

Journal Article · Thu Jun 02 00:00:00 EDT 2022 · Materials Today Physics

DOI:https://doi.org/10.1016/j.mtphys.2022.100740· OSTI ID:1876375

Li, C. ^[1];

^[2];

^[2]; Broido, D. ^[1]

Boston College, Chestnut Hill, MA (United States)
Catalan Inst. of Nanoscience and Nanotechnology, Barcelona (Spain)

Diamond is one of the most studied materials because of its unique combination of remarkable electrical, mechanical, thermal and optical properties. Using a fully self-consistent ab initio theory of coupled electron-phonon transport, we reveal another striking behavior: a huge drag enhancement of the thermopower of lightly doped diamond. Thermopower values of around 100,000 μV K^–1 are found at 100 K, significantly exceeding the highest previously measured value in the correlated metal FeSb₂, and occurring at much higher temperatures. The enormous thermopower in diamond arises primarily from exceptionally weak anharmonic phonon decay around and below 100 K that facilitates efficient momentum exchange between charge carriers and phonons through electron-phonon interactions. Exceedingly large thermoelectric power factors are also identified. Furthermore, this work gives insights into the physics of the coupled electron-phonon system in solids and advances our understanding of thermoelectric transport in the regime of strong drag.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Boston College, Chestnut Hill, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: SC0021071

OSTI ID:: 1876375

Journal Information:: Materials Today Physics, Vol. 27; ISSN 2542-5293

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (36)

Zur Theorie der elektrischen und thermischen Leitfähigkeit von Metallen Peierls, R. Annalen der Physik, Vol. 396, Issue 2 https://doi.org/10.1002/andp.19303960202	journal	January 1930
Zum elektrischen Widerstandsgesetz bei tiefen Temperaturen Bloch, F. Zeitschrift f�r Physik, Vol. 59, Issue 3-4 https://doi.org/10.1007/BF01341426	journal	March 1930
Theory of the Thermoelectric Power of Semiconductors Herring, Conyers Physical Review, Vol. 96, Issue 5 https://doi.org/10.1103/PhysRev.96.1163	journal	December 1954
The electron-phonon drag and transport phenomena in semiconductors Gurevich, Yu. G.; Mashkevich, O. L. Physics Reports, Vol. 181, Issue 6 https://doi.org/10.1016/0370-1573(89)90011-2	journal	October 1989
Thermoelectric Power of Germanium below Room Temperature Frederikse, H. P. R. Physical Review, Vol. 92, Issue 2 https://doi.org/10.1103/PhysRev.92.248	journal	October 1953
Seebeck Effect in Germanium Geballe, T. H.; Hull, G. W. Physical Review, Vol. 94, Issue 5 https://doi.org/10.1103/PhysRev.94.1134	journal	June 1954
Seebeck Effect in Silicon Geballe, T. H.; Hull, G. W. Physical Review, Vol. 98, Issue 4 https://doi.org/10.1103/PhysRev.98.940	journal	May 1955
Colossal Seebeck coefficient in strongly correlated semiconductor FeSb ₂ Bentien, A.; Johnsen, S.; Madsen, G. K. H. Europhysics Letters (EPL), Vol. 80, Issue 3 https://doi.org/10.1209/0295-5075/80/39901	journal	October 2007
Unified Picture for the Colossal Thermopower Compound ${FeSb}_{2}$ Battiato, M.; Tomczak, J. M.; Zhong, Z. Physical Review Letters, Vol. 114, Issue 23 https://doi.org/10.1103/PhysRevLett.114.236603	journal	June 2015
Highly dispersive electron relaxation and colossal thermoelectricity in the correlated semiconductor FeSb $_{2}$ Sun, Peijie; Xu, Wenhu; Tomczak, Jan M. Physical Review B, Vol. 88, Issue 24 https://doi.org/10.1103/PhysRevB.88.245203	journal	December 2013
Colossal Seebeck effect enhanced by quasi-ballistic phonons dragging massive electrons in FeSb2 Takahashi, H.; Okazaki, R.; Ishiwata, S. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12732	journal	September 2016
Isotope effect on the phonon-drag component of the thermoelectric power of germanium Inyushkin, A. V.; Taldenkov, A. N.; Ozhogin, V. I. Physical Review B, Vol. 68, Issue 15 https://doi.org/10.1103/PhysRevB.68.153203	journal	October 2003
The Thermoelectric Power of a Semiconducting Diamond Goldsmid, H. J.; Jenns, C. C.; Wright, D. A. Proceedings of the Physical Society, Vol. 73, Issue 3 https://doi.org/10.1088/0370-1328/73/3/306	journal	March 1959
Magnetotransport phenomena in $p$ -doped diamond from first principles Macheda, Francesco; Bonini, Nicola Physical Review B, Vol. 98, Issue 20 https://doi.org/10.1103/PhysRevB.98.201201	journal	November 2018
Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion Zhou, Jiawei; Liao, Bolin; Qiu, Bo Proceedings of the National Academy of Sciences, Vol. 112, Issue 48 https://doi.org/10.1073/pnas.1512328112	journal	November 2015
The Seebeck coefficient and phonon drag in silicon Mahan, G. D.; Lindsay, L.; Broido, D. A. Journal of Applied Physics, Vol. 116, Issue 24 https://doi.org/10.1063/1.4904925	journal	December 2014
Thermoelectric coefficients of $n$ -doped silicon from first principles via the solution of the Boltzmann transport equation Fiorentini, Mattia; Bonini, Nicola Physical Review B, Vol. 94, Issue 8 https://doi.org/10.1103/PhysRevB.94.085204	journal	August 2016
Coupled transport of phonons and carriers in semiconductors: A case study of $n$ -doped GaAs Protik, Nakib H.; Broido, David A. Physical Review B, Vol. 101, Issue 7 https://doi.org/10.1103/PhysRevB.101.075202	journal	February 2020
Electron-phonon drag enhancement of transport properties from a fully coupled ab initio Boltzmann formalism Protik, Nakib H.; Kozinsky, Boris Physical Review B, Vol. 102, Issue 24 https://doi.org/10.1103/PhysRevB.102.245202	journal	December 2020
The elphbolt ab initio solver for the coupled electron-phonon Boltzmann transport equations Protik, Nakib H.; Li, Chunhua; Pruneda, Miguel npj Computational Materials, Vol. 8, Issue 1 https://doi.org/10.1038/s41524-022-00710-0	journal	February 2022
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Advanced capabilities for materials modelling with Quantum ESPRESSO Giannozzi, P.; Andreussi, O.; Brumme, T. Journal of Physics: Condensed Matter, Vol. 29, Issue 46 https://doi.org/10.1088/1361-648X/aa8f79	journal	October 2017
Pseudopotentials for high-throughput DFT calculations Garrity, Kevin F.; Bennett, Joseph W.; Rabe, Karin M. Computational Materials Science, Vol. 81 https://doi.org/10.1016/j.commatsci.2013.08.053	journal	January 2014
ShengBTE: A solver of the Boltzmann transport equation for phonons Li, Wu; Carrete, Jesús; A. Katcho, Nebil Computer Physics Communications, Vol. 185, Issue 6 https://doi.org/10.1016/j.cpc.2014.02.015	journal	June 2014
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions Poncé, S.; Margine, E. R.; Verdi, C. Computer Physics Communications, Vol. 209 https://doi.org/10.1016/j.cpc.2016.07.028	journal	December 2016
Electron-phonon interaction using Wannier functions Giustino, Feliciano; Cohen, Marvin L.; Louie, Steven G. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165108	journal	October 2007
Electron and hole drift velocity in chemical vapor deposition diamond Gabrysch, Markus; Majdi, Saman; Twitchen, Daniel J. Journal of Applied Physics, Vol. 109, Issue 6 https://doi.org/10.1063/1.3554721	journal	March 2011
Some aspects of the thermal conductivity of isotopically enriched diamond single crystals Onn, D. G.; Witek, A.; Qiu, Y. Z. Physical Review Letters, Vol. 68, Issue 18 https://doi.org/10.1103/PhysRevLett.68.2806	journal	May 1992
Thermal conductivity of diamond between 170 and 1200 K and the isotope effect Olson, J. R.; Pohl, R. O.; Vandersande, J. W. Physical Review B, Vol. 47, Issue 22 https://doi.org/10.1103/PhysRevB.47.14850	journal	June 1993
Thermal conductivity of isotopically modified single crystal diamond Wei, Lanhua; Kuo, P. K.; Thomas, R. L. Physical Review Letters, Vol. 70, Issue 24 https://doi.org/10.1103/PhysRevLett.70.3764	journal	June 1993
Nitrogen in diamond: evidence from thermal conductivity Berman, R.; Hudson, P. R. W.; Martinez, M. Journal of Physics C: Solid State Physics, Vol. 8, Issue 21 https://doi.org/10.1088/0022-3719/8/21/003	journal	November 1975
Sound and heat revolutions in phononics Maldovan, Martin Nature, Vol. 503, Issue 7475 https://doi.org/10.1038/nature12608	journal	November 2013
High hole mobility in boron doped diamond for power device applications Volpe, Pierre-Nicolas; Pernot, Julien; Muret, Pierre Applied Physics Letters, Vol. 94, Issue 9 https://doi.org/10.1063/1.3086397	journal	March 2009
Diamond MISFET based on boron delta-doped channel El-Hajj, H.; Denisenko, A.; Kaiser, A. Diamond and Related Materials, Vol. 17, Issue 7-10 https://doi.org/10.1016/j.diamond.2008.02.015	journal	July 2008
The boron acceptor in diamond Thonke, Klaus Semiconductor Science and Technology, Vol. 18, Issue 3 https://doi.org/10.1088/0268-1242/18/3/303	journal	February 2003
Transfer Doping in Diamond for Channel Doping and Electrical Contacts Huddleston, Lucas; Mcnamara, Shamus IEEE Transactions on Electron Devices, Vol. 68, Issue 9 https://doi.org/10.1109/TED.2021.3100017	journal	September 2021

Similar Records

Unusual electronic and vibrational properties in the colossal thermopower material FeSb2

Journal Article · Fri Aug 03 00:00:00 EDT 2018 · Scientific Reports · OSTI ID:1876375

Homes, C. C.; Du, Q.; Petrovic, C.; +3 more

High-frequency phonons drive large phonon-drag thermopower in semiconductors at high carrier density

Journal Article · Tue Feb 07 00:00:00 EST 2023 · Physical Review. B · OSTI ID:1876375

Li, Chunhua; Protik, Nakib H.; Ravichandran, Navaneetha K.; +1 more

Optimal carrier concentration for FeSb₂ colossal thermopower

Journal Article · Mon Jun 07 00:00:00 EDT 2021 · Applied Physics Letters · OSTI ID:1876375

Du, Qianheng; Petrovic, Cedomir

Related Subjects

36 MATERIALS SCIENCE
phonon drag
electron-phonon coupling
phonon-phonon interactions
electron-phonon interactions
thermoelectric transport.

Title: Colossal phonon drag enhanced thermopower in lightly doped diamond

Citation Formats

References (36)

Similar Records

Related Subjects