Thermoelectric properties of n -type SrTiO 3
Abstract
We present an investigation of the thermoelectric properties of cubic perovskite SrTiO3. The results are derived from a combination of calculated transport functions obtained from Boltzmann transport theory in the constant scattering time approximation based on the electronic structure and existing experimental data for La-doped SrTiO3. The figure of merit ZT is modeled with respect to carrier concentration and temperature. The model predicts a relatively high ZT at optimized doping and suggests that the ZT value can reach 0.7 at T = 1400 K. Thus ZT can be improved from the current experimental values by carrier concentration optimization.
- Authors:
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1254375
- Alternate Identifier(s):
- OSTI ID: 1388418; OSTI ID: 1420527
- Grant/Contract Number:
- SC0001299; FG02-09ER46577
- Resource Type:
- Published Article
- Journal Name:
- APL Materials
- Additional Journal Information:
- Journal Name: APL Materials Journal Volume: 4 Journal Issue: 10; Journal ID: ISSN 2166-532X
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Sun, Jifeng, and Singh, David J. Thermoelectric properties of n -type SrTiO 3. United States: N. p., 2016.
Web. doi:10.1063/1.4952610.
Sun, Jifeng, & Singh, David J. Thermoelectric properties of n -type SrTiO 3. United States. https://doi.org/10.1063/1.4952610
Sun, Jifeng, and Singh, David J. Sat .
"Thermoelectric properties of n -type SrTiO 3". United States. https://doi.org/10.1063/1.4952610.
@article{osti_1254375,
title = {Thermoelectric properties of n -type SrTiO 3},
author = {Sun, Jifeng and Singh, David J.},
abstractNote = {We present an investigation of the thermoelectric properties of cubic perovskite SrTiO3. The results are derived from a combination of calculated transport functions obtained from Boltzmann transport theory in the constant scattering time approximation based on the electronic structure and existing experimental data for La-doped SrTiO3. The figure of merit ZT is modeled with respect to carrier concentration and temperature. The model predicts a relatively high ZT at optimized doping and suggests that the ZT value can reach 0.7 at T = 1400 K. Thus ZT can be improved from the current experimental values by carrier concentration optimization.},
doi = {10.1063/1.4952610},
journal = {APL Materials},
number = 10,
volume = 4,
place = {United States},
year = {Sat Oct 01 00:00:00 EDT 2016},
month = {Sat Oct 01 00:00:00 EDT 2016}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/1.4952610
https://doi.org/10.1063/1.4952610
Other availability
Cited by: 59 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
High figure of merit in partially filled ytterbium skutterudite materials
journal, January 2000
- Nolas, G. S.; Kaeser, M.; Littleton, R. T.
- Applied Physics Letters, Vol. 77, Issue 12
Enhanced thermoelectric performance of Nb-doped SrTiO3 by nano-inclusion with low thermal conductivity
journal, December 2013
- Wang, Ning; Chen, Haijun; He, Hongcai
- Scientific Reports, Vol. 3, Issue 1
Oxide thermoelectrics: The challenges, progress, and outlook
journal, July 2011
- He, Jian; Liu, Yufei; Funahashi, Ryoji
- Journal of Materials Research, Vol. 26, Issue 15
Electronic transport properties of and its alloys: and
journal, October 2010
- Kinaci, A.; Sevik, C.; Çağın, T.
- Physical Review B, Vol. 82, Issue 15
Thermoelectric properties of Al-doped ZnO as a promising oxide material for high-temperature thermoelectric conversion
journal, January 1997
- Tsubota, Toshiki; Ohtaki, Michitaka; Eguchi, Koichi
- Journal of Materials Chemistry, Vol. 7, Issue 1
Glass-like thermal conductivity in SrTiO 3 thermoelectrics induced by A-site vacancies
journal, January 2014
- Popuri, S. R.; Scott, A. J. M.; Downie, R. A.
- RSC Adv., Vol. 4, Issue 64
Scattering of Current Carriers and Transport Phenomena in Lead Chalcogenides
journal, January 1971
- Ravich, Yu. I.; Efimova, B. A.; Tamarchenko, V. I.
- Physica Status Solidi (b), Vol. 43, Issue 1
Thermoelectric Properties of : Model and Optimization of
journal, February 2016
- Sun, Jifeng; Singh, David J.
- Physical Review Applied, Vol. 5, Issue 2
Thermoelectric properties of rare earth doped SrTiO3
journal, February 2003
- Muta, Hiroaki; Kurosaki, Ken; Yamanaka, Shinsuke
- Journal of Alloys and Compounds, Vol. 350, Issue 1-2
Enhanced Thermoelectric Properties in Zinc Antimonides
journal, September 2011
- Bjerg, Lasse; Madsen, Georg K. H.; Iversen, Bo B.
- Chemistry of Materials, Vol. 23, Issue 17
Doping-dependent thermopower of PbTe from Boltzmann transport calculations
journal, May 2010
- Singh, David J.
- Physical Review B, Vol. 81, Issue 19
Complex thermoelectric materials
journal, February 2008
- Snyder, G. Jeffrey; Toberer, Eric S.
- Nature Materials, Vol. 7, Issue 2, p. 105-114
Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports
journal, May 2011
- Shi, Xun; Yang, Jiong; Salvador, James R.
- Journal of the American Chemical Society, Vol. 133, Issue 20
Heavy element doping for enhancing thermoelectric properties of nanostructured zinc oxide
journal, January 2014
- Jood, Priyanka; Mehta, Rutvik J.; Zhang, Yanliang
- RSC Advances, Vol. 4, Issue 13
Thermoelectric Properties of Na x CoO2 and Prospects for Other Oxide Thermoelectrics
journal, June 2007
- Singh, D. J.; Kasinathan, D.
- Journal of Electronic Materials, Vol. 36, Issue 7
Perspective: n-type oxide thermoelectrics via visual search strategies
journal, February 2016
- Xing, Guangzong; Sun, Jifeng; Ong, Khuong P.
- APL Materials, Vol. 4, Issue 5
Automated Search for New Thermoelectric Materials: The Case of LiZnSb
journal, September 2006
- Madsen, Georg K. H.
- Journal of the American Chemical Society, Vol. 128, Issue 37
High Three-Dimensional Thermoelectric Performance from Low-Dimensional Bands
journal, April 2013
- Parker, David; Chen, Xin; Singh, David J.
- Physical Review Letters, Vol. 110, Issue 14
Thermoelectric Materials for Space and Automotive Power Generation
journal, March 2006
- Yang, Jihui; Caillat, Thierry
- MRS Bulletin, Vol. 31, Issue 3
The high-throughput highway to computational materials design
journal, February 2013
- Curtarolo, Stefano; Hart, Gus L. W.; Nardelli, Marco Buongiorno
- Nature Materials, Vol. 12, Issue 3
Electronic Transport in Strontium Titanate
journal, April 1964
- Frederikse, H. P. R.; Thurber, W. R.; Hosler, W. R.
- Physical Review, Vol. 134, Issue 2A
Complex Oxide Materials for Potential Thermoelectric Applications
journal, March 2006
- Koumoto, Kunihito; Terasaki, Ichiro; Funahashi, Ryoji
- MRS Bulletin, Vol. 31, Issue 3
La-doped SrTiO 3 films with large cryogenic thermoelectric power factors
journal, May 2013
- Cain, Tyler A.; Kajdos, Adam P.; Stemmer, Susanne
- Applied Physics Letters, Vol. 102, Issue 18
Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
journal, October 2008
- Yang, Jiong; Li, Huanming; Wu, Ting
- Advanced Functional Materials, Vol. 18, Issue 19, p. 2880-2888
Unusual Transport and Strongly Anisotropic Thermopower in and
journal, April 2010
- Ong, Khuong P.; Singh, David J.; Wu, Ping
- Physical Review Letters, Vol. 104, Issue 17
High thermoelectric figure of merit in heavy hole dominated PbTe
journal, January 2011
- Pei, Yanzhong; LaLonde, Aaron; Iwanaga, Shiho
- Energy & Environmental Science, Vol. 4, Issue 6
Thermal conductivity reduction in oxygen-deficient strontium titanates
journal, May 2008
- Yu, Choongho; Scullin, Matthew L.; Huijben, Mark
- Applied Physics Letters, Vol. 92, Issue 19
Theory of band warping and its effects on thermoelectronic transport properties
journal, April 2014
- Mecholsky, Nicholas A.; Resca, Lorenzo; Pegg, Ian L.
- Physical Review B, Vol. 89, Issue 15
BoltzTraP. A code for calculating band-structure dependent quantities
journal, July 2006
- Madsen, Georg K. H.; Singh, David J.
- Computer Physics Communications, Vol. 175, Issue 1
High-temperature thermoelectric properties of Na/sub x/CoO/sub 2-δ/ single crystals
conference, January 2001
- Fujita, K.; Mochida, T.; Nakamura, K.
- Proceedings ICT2001. 20 International Conference on Thermoelectrics (Cat. No.01TH8589)
Optical Properties and Band Structure of SrTi and BaTi
journal, October 1965
- Cardona, Manuel
- Physical Review, Vol. 140, Issue 2A
Origin of coexisting large Seebeck coefficient and metallic conductivity in the electron doped and
journal, May 2010
- Usui, Hidetomo; Shibata, Shinsuke; Kuroki, Kazuhiko
- Physical Review B, Vol. 81, Issue 20
Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional
journal, November 2010
- Singh, David J.
- Physical Review B, Vol. 82, Issue 20
Energy-dependent electron scattering via interaction with optical phonons in wurtzite crystals and quantum wells
journal, January 2000
- Komirenko, S. M.; Kim, K. W.; Stroscio, M. A.
- Physical Review B, Vol. 61, Issue 3
Mechanism behind the high thermoelectric power factor of SrTiO 3 by calculating the transport coefficients
journal, February 2013
- Shirai, Koun; Yamanaka, Kazunori
- Journal of Applied Physics, Vol. 113, Issue 5
High-Figure-of-Merit Thermoelectric La-Doped A-Site-Deficient SrTiO 3 Ceramics
journal, January 2016
- Lu, Zhilun; Zhang, Huairuo; Lei, Wen
- Chemistry of Materials, Vol. 28, Issue 3
Evidence for hydrodynamic electron flow in PdCoO2
journal, February 2016
- Moll, P. J. W.; Kushwaha, P.; Nandi, N.
- Science, Vol. 351, Issue 6277
High Thermoelectric Performance of Dually Doped ZnO Ceramics
journal, June 2009
- Ohtaki, Michitaka; Araki, Kazuhiko; Yamamoto, Kiyoshi
- Journal of Electronic Materials, Vol. 38, Issue 7
Scattering of Current Carriers and Transport Phenomena in Lead Chalcogenides II. Experiment
journal, February 1971
- Ravich, Yu. I.; Efimova, B. A.; Tamarchenko, V. I.
- Physica Status Solidi (b), Vol. 43, Issue 2
Thermal conductivity as a metric for the crystalline quality of SrTiO3 epitaxial layers
journal, May 2011
- Oh, Dong-Wook; Ravichandran, Jayakanth; Liang, Chen-Wei
- Applied Physics Letters, Vol. 98, Issue 22
Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in Phosphorene
journal, September 2014
- Fei, Ruixiang; Faghaninia, Alireza; Soklaski, Ryan
- Nano Letters, Vol. 14, Issue 11
Interband Electronic Raman Scattering in SrTiO 3
journal, January 1985
- Uwe, Hiromoto; Sakudo, Tunetaro; Yamaguchi, Hirotaka
- Japanese Journal of Applied Physics, Vol. 24, Issue S2
Analysis of the thermoelectric properties of -type ZnO
journal, March 2011
- Ong, Khuong P.; Singh, David J.; Wu, Ping
- Physical Review B, Vol. 83, Issue 11
Al-Doped Zinc Oxide Nanocomposites with Enhanced Thermoelectric Properties
journal, October 2011
- Jood, Priyanka; Mehta, Rutvik J.; Zhang, Yanliang
- Nano Letters, Vol. 11, Issue 10
Materials for thermoelectric energy conversion
journal, April 1988
- Wood, C
- Reports on Progress in Physics, Vol. 51, Issue 4, p. 459-539
Potential Thermoelectric Performance from Optimization of Hole-Doped
journal, October 2011
- Parker, David; Singh, David J.
- Physical Review X, Vol. 1, Issue 2
Enhanced Born charge and proximity to ferroelectricity in thallium halides
journal, April 2010
- Du, Mao-Hua; Singh, David J.
- Physical Review B, Vol. 81, Issue 14
Large thermoelectric power in single crystals
journal, November 1997
- Terasaki, I.; Sasago, Y.; Uchinokura, K.
- Physical Review B, Vol. 56, Issue 20
Electrical and thermal properties of single-crystalline (Ca2CoO3)0.7CoO2 with a Ca3Co4O9 structure
journal, March 2003
- Shikano, Masahiro; Funahashi, Ryoji
- Applied Physics Letters, Vol. 82, Issue 12
Compatibility approach for the improvement of oxide thermoelectric converters for industrial heat recovery applications
journal, July 2015
- Saucke, Gesine; Populoh, Sascha; Thiel, Philipp
- Journal of Applied Physics, Vol. 118, Issue 3
Cubic to Tetragonal Phase Transition of SrTiO3 under Epitaxial Stress: An X-Ray Backscattering Study
journal, October 2000
- Cao, Lixin; Sozontov, E.; Zegenhagen, J.
- physica status solidi (a), Vol. 181, Issue 2
Density functional theory and experimental study of the electronic structure and transport properties of La, V, Nb, and Ta doped SrTiO 3
journal, January 2013
- Baniecki, J. D.; Ishii, M.; Aso, H.
- Journal of Applied Physics, Vol. 113, Issue 1
First-principles study of the mobility of
journal, December 2014
- Himmetoglu, Burak; Janotti, Anderson; Peelaers, Hartwin
- Physical Review B, Vol. 90, Issue 24
Bismuth telluride compounds with high thermoelectric figures of merit
journal, January 2003
- Yamashita, Osamu; Tomiyoshi, Shoichi; Makita, Ken
- Journal of Applied Physics, Vol. 93, Issue 1
Thermoelectric properties of reduced and La-doped single-crystalline SrTiO3
journal, April 2005
- Muta, Hiroaki; Kurosaki, Ken; Yamanaka, Shinsuke
- Journal of Alloys and Compounds, Vol. 392, Issue 1-2
Energy Bands for KNi , SrTi , KMo , and KTa
journal, December 1972
- Mattheiss, L. F.
- Physical Review B, Vol. 6, Issue 12
Doping Effect of La and Dy on the Thermoelectric Properties of SrTiO3: Doping Effect of La and Dy
journal, November 2010
- Wang, Hong Chao; Wang, Chun Lei; Su, Wen Bin
- Journal of the American Ceramic Society, Vol. 94, Issue 3
High-temperature thermoelectric performance of heavily doped PbSe
journal, July 2010
- Parker, David; Singh, David J.
- Physical Review B, Vol. 82, Issue 3, Article No. 035204
“Pudding Mold” Band Drives Large Thermopower in Na x CoO 2
journal, August 2007
- Kuroki, Kazuhiko; Arita, Ryotaro
- Journal of the Physical Society of Japan, Vol. 76, Issue 8
High-temperature carrier transport and thermoelectric properties of heavily La- or Nb-doped SrTiO3 single crystals
journal, February 2005
- Ohta, Shingo; Nomura, Takashi; Ohta, Hiromichi
- Journal of Applied Physics, Vol. 97, Issue 3
Importance of non-parabolic band effects in the thermoelectric properties of semiconductors
journal, November 2013
- Chen, Xin; Parker, David; Singh, David J.
- Scientific Reports, Vol. 3, Issue 1
Large Seebeck effect in electron-doped FeAs driven by a quasi-one-dimensional pudding-mold-type band
journal, August 2013
- Usui, Hidetomo; Suzuki, Katsuhiro; Kuroki, Kazuhiko
- Physical Review B, Vol. 88, Issue 7
Fabrication of an all-oxide thermoelectric power generator
journal, June 2001
- Matsubara, Ichiro; Funahashi, Ryoji; Takeuchi, Tomonari
- Applied Physics Letters, Vol. 78, Issue 23
Recent Progress in Oxide Thermoelectric Materials: p-Type Ca 3 Co 4 O 9 and n-Type SrTiO 3 −
journal, October 2008
- Ohta, Hiromichi; Sugiura, Kenji; Koumoto, Kunihito
- Inorganic Chemistry, Vol. 47, Issue 19
Electronic structure calculations of solids using the WIEN2k package for material sciences
journal, August 2002
- Schwarz, K.; Blaha, P.; Madsen, G. K. H.
- Computer Physics Communications, Vol. 147, Issue 1-2
Multiple-Filled Skutterudites: High Thermoelectric Figure of Merit through Separately Optimizing Electrical and Thermal Transports
journal, January 2012
- Shi, Xun; Yang, Jiong; Salvador, James R.
- Journal of the American Chemical Society, Vol. 134, Issue 5
Works referencing / citing this record:
Prediction for electronic, vibrational and thermoelectric properties of chalcopyrite AgX(X=In,Ga)Te 2 : PBE + U approach
journal, October 2017
- Yang, Jianhui; Fan, Qiang; Cheng, Xinlu
- Royal Society Open Science, Vol. 4, Issue 10
Prediction for electronic, vibrational and thermoelectric properties of chalcopyrite AgX(X=In,Ga)Te 2 : PBE + U approach
journal, October 2017
- Yang, Jianhui; Fan, Qiang; Cheng, Xinlu
- Royal Society Open Science, Vol. 4, Issue 10
Effect of Two‐Dimensional Crystal Orbitals on Fermi Surfaces and Electron Transport in Three‐Dimensional Perovskite Oxides
journal, February 2019
- Dylla, Maxwell Thomas; Kang, Stephen Dongmin; Snyder, G. Jeffrey
- Angewandte Chemie, Vol. 131, Issue 17
Effect of Two‐Dimensional Crystal Orbitals on Fermi Surfaces and Electron Transport in Three‐Dimensional Perovskite Oxides
journal, February 2019
- Dylla, Maxwell Thomas; Kang, Stephen Dongmin; Snyder, G. Jeffrey
- Angewandte Chemie International Edition, Vol. 58, Issue 17
Investigations of optical and thermoelectric response of direct band gap Ca3XO (X = Si, Ge) anti-perovskites stabilized in cubic and orthorhombic phases
journal, February 2018
- Mahmood, Q.; Ashraf, A.; Hassan, M.
- Indian Journal of Physics, Vol. 92, Issue 7
Thermoelectric properties of AMg 2 X 2 , AZn 2 Sb 2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba 2 ZnX 2 (X = Sb, Bi) Zintl compounds
journal, January 2017
- Sun, Jifeng; Singh, David J.
- Journal of Materials Chemistry A, Vol. 5, Issue 18
First-principles prediction of large thermoelectric efficiency in superionic Li 2 SnX 3 (X = S, Se)
journal, January 2020
- Haque, Enamul; Cazorla, Claudio; Hossain, M. Anwar
- Physical Chemistry Chemical Physics, Vol. 22, Issue 2
Enhanced thermoelectric properties of lightly Nb doped SrTiO 3 thin films
journal, January 2019
- Bhansali, S.; Khunsin, W.; Chatterjee, A.
- Nanoscale Advances, Vol. 1, Issue 9
First-principles study of electronic transport coefficients of point-defective metallic species: aluminum and its bimetallic alloys
journal, March 2019
- Choi, Garam; Kim, Hyo Seok; Park, Sang Hyun
- Modelling and Simulation in Materials Science and Engineering, Vol. 27, Issue 3
First-principles analysis of electron transport in
journal, May 2017
- Krishnaswamy, Karthik; Himmetoglu, Burak; Kang, Youngho
- Physical Review B, Vol. 95, Issue 20
Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction
journal, August 2018
- Li, Yuwei; Singh, David J.
- The European Physical Journal B, Vol. 91, Issue 8
Development of Perovskite-Type Materials for Thermoelectric Application
journal, June 2018
- Wu, Tingjun; Gao, Peng
- Materials, Vol. 11, Issue 6