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Kerdsongpanya, Sit
Publications (8 of 8) Show all publications
Kerdsongpanya, S., Eriksson, F., Jensen, J., Lu, J., Sun, B., Kan Koh, Y., . . . Eklund, P. (2016). Experimental and Theoretical Investigation of Cr1-xScxN Solid Solutions for Thermoelectric Applications. Journal of Applied Physics, 120(21), Article ID 215103.
Open this publication in new window or tab >>Experimental and Theoretical Investigation of Cr1-xScxN Solid Solutions for Thermoelectric Applications
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2016 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 120, no 21, article id 215103Article in journal (Refereed) Published
Abstract [en]

We investigate the trends in mixing thermodynamics of Cr1-xScxN solid solutions in the cubic B1 structure and their electronic density of state by first-principle calculations, and thin-film synthesis of Cr1-xScxN solid solutions by reactive dc magnetron sputtering. Films with the composition Cr0.92Sc0.08N exhibit a thermoelectric power factor of about 8x10-4 Wm-1K-2at 770 K, similar to CrN. The results show that the disordered Cr1-xScxN solid solutions is thermodynamically stable in B1 solid solutions at T = 800°C rather than in the B1- L11 ordered solid solutions stable at 0 K. The calculated electronic density of state (DOS) indicates a positive bowing parameter for the electronic band gap of Cr1-xScxN solid solutions. The calculated DOS suggest possible improvement of power factor due to Sc 3d orbital delocalization on Cr 3d orbital gives decreasing electrical resistivity with retained Seebeck coefficient in Cr-rich regime, consistent with the experimentally observed high power factor for the solid solution.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2016
Keywords
Chromium nitride, Scandium nitride, Thermoelectrics, First-principles calculations, Solid solutions
National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-117757 (URN)10.1063/1.4968570 (DOI)000390602600026 ()
Note

Funding agencies: European Research Council under the European Communitys Seventh Framework Programme [335383]; Swedish Research Council (VR) [621-2012-4430, 621-2011-4417, 330-2014-6336]; Marie Sklodowska Curie Actions [INCA 60098]; Linnaeus Strong Research Environment Li

Available from: 2015-05-08 Created: 2015-05-08 Last updated: 2017-12-04Bibliographically approved
Eklund, P., Kerdsongpanya, S. & Alling, B. (2016). Transition-metal-nitride-based thin films as novel energy harvesting materials. Journal of Materials Chemistry C, 4(18), 3905-3914
Open this publication in new window or tab >>Transition-metal-nitride-based thin films as novel energy harvesting materials
2016 (English)In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 4, no 18, p. 3905-3914Article in journal (Refereed) Published
Abstract [en]

The last few years have seen a rise in the interest in early transition-metal and rare-earth nitrides, primarily based on ScN and CrN, for energy harvesting by thermoelectricity and piezoelectricity. This is because of a number of important advances, among those the discoveries of exceptionally high piezoelectric coupling coefficient in (Sc,Al)N alloys and of high thermoelectric power factors of ScN-based and CrN-based thin films. These materials also constitute well-defined model systems for investigating thermodynamics of mixing for alloying and nanostructural design for optimization of phase stability and band structure. These features have implications for and can be used for tailoring of thermoelectric and piezoelectric properties. In this highlight article, we review the ScN-and CrN-based transition-metal nitrides for thermoelectrics, and drawing parallels with piezoelectricity. We further discuss these materials as a models systems for general strategies for tailoring of thermoelectric properties by integrated theoretical-experimental approaches.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY, 2016
National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-128981 (URN)10.1039/c5tc03891j (DOI)000375694900003 ()
Note

Funding Agencies|European Research Council under the European Communitys Seventh Framework Programme/ERC [335383]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [2009 00971]; Swedish Foundation for Strategic Research (SSF) through the Future Research Leaders 5 program; Swedish Research Council (VR) [621-2012-4430, 621-2011-4417, 330-2014-6336]

Available from: 2016-06-09 Created: 2016-06-07 Last updated: 2017-11-30
Kerdsongpanya, S. (2015). Design of Transition-Metal Nitride Thin Films for Thermoelectrics. (Doctoral dissertation). Linköping: Linköping University Electronic Press
Open this publication in new window or tab >>Design of Transition-Metal Nitride Thin Films for Thermoelectrics
2015 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Thermoelectric devices are one of the promising energy harvesting technologies, because of their ability to convert heat (temperature gradient) to electricity by the Seebeck effect. Furthermore, thermoelectric devices can be used for cooling or heating by the inverse effect (Peltier effect). Since this conversion process is clean, with no emission of greenhouse gases during the process, this technology is attractive for recovering waste heat in automobiles or industries into usable electricity. However, the conversion efficiency of such devices is rather low due to fundamental materials limitations manifested through the thermoelectric figure of merit (ZT). Thus, there is high demand on finding materials with high ZT or strategies to improve ZT of materials.

In this thesis, I discuss the basics of thermoelectrics and how to improve ZT of materials, including present-day strategies. Based on these ideas, I propose a new class of materials for thermoelectric applications: transition-metal nitrides, mainly ScN, CrN and their solid solutions. Here, I employed both experimental and theoretical methods to synthesize and study their thermoelectric properties. My study envisages ways for improving the thermoelectric figure of merit of ScN and possible new materials for thermoelectric applications.

The results of my studies show that ScN is a promising thermoelectric material since it exhibits high thermoelectric power factor 2.5x10-3 Wm-1K-2 at 800 K, due to low metallic-like electrical resistivity while retained relatively large Seebeck coefficient. My studies on thermal conductivity of ScN also suggest a possibility to control thermal conductivity by tailoring the microstructure of ScN thin films. Furthermore, my theoretical studies on effects of impurities and stoichiometry on the electronic structure of ScN suggest the possibly to improve ScN ZT by stoichiometry tuning and doping. For CrN and Cr1-xScxN solid solution thin films, the results show that the power factor of CrN (8x10-4 Wm-1K-2 at 770 K) can be retained for the solid solution Cr0.92Sc0.08N. Finally, density functional theory was used to enable a systematic predictionbased strategy for optimizing ScN thermoelectric properties via phase stability of solid solutions. Sc1-xGdxN and Sc1-xLuxN are stabilized as disordered solid solutions, while in the Sc-Nb-N and Sc-Ta-N systems, the inherently layered ternary structures ScNbN2 and ScTaN2 are stable.

Abstract [sv]

Sedan den industriella revolutionen har fossila bränslen varit vår huvudkälla till energi i motorer för transport, elproduktion och uppvärmning av byggnader. Eftersom mänskligheten och vår teknik växer för varje år som går, fortsätter efterfrågan på fossila bränslen att öka. Med tanke på att fossila bränslen inte är förnybara, riskerar vi att de tar slut. Dessutom är resultatet av denna ständiga förbränning av fossila bränslen generering av växthusgaser, t.ex. kolmonoxid och koldioxid, som orsakar klimatförändringar, som ett ytterligare problem. Således finns det ett ökande behov av nya former av energikällor som kan ersätta fossila bränslen.

För närvarande finns det olika typer av tekniker för förnybar energi som solceller, vätgasteknik (bränsleceller), vindkraftverk, vattenkraft, etc. Ett annat koncept som har studerats är energiåtervinning, vilket innebär att fånga eller lagra spillenergi och förvandla det till användbar energi. Spillenergi är den energi, oftast värmeförluster, som förloras i generatorer, vibrationer från motorer, och så vidare. Ungefär 60% av den ursprungliga energin avges som spillvärme. Om vi kan återvinna all denna förlust till användbar energi igen, kan vi spara stora mängder bränslen utsläppen av koldioxid kommer att minska.

Med hänsyn till dessa krav, så är termoelektriska komponenter intressanta kandidater. En termoelektriska komponent är tillverkad av material som direkt återvinner värme (en temperaturgradient) till elektrisk energi utan utsläpp av växthusgaser. De kan också kyla genom den omvända processen, när de genererar en temperaturgradient från en pålagd ström. Detta innebär att de kyler utan rörliga delar eller något kylmedel som kan orsaka miljöproblem. Verkningsgraden är emellertid låg, för närvarande 10% -15%, dessutom är de flesta av dagens termoelektriska material giftiga. Jag har därför studerat en ny klass av material, övergångsmetallnitrider, som en kandidat för termoelektriska tillämpningar. Övergångsmetallnitrider är kända för sina utmärkta mekaniska egenskaper, de används till exempel som beläggningar på skärverktyg i syfte att förbättra prestanda och livslängd. De uppvisar ocksåolika elektriska egenskaper (metaller, halvledare och supraledare). Min studie är inriktad på att förstå de termoelektriska egenskaperna hos övergångsmetallnitrider, främst skandiumnitrid och kromnitrid. Resultaten visar att båda materialen kan vara bra kandidater för termoelektriska tillämpningar.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2015. p. 178
Series
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 1667
National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-117760 (URN)10.3384/diss.diva-117760 (DOI)978-91-7519-067-9 (ISBN)
Public defence
2015-06-01, Planck, Fysikhuset, Campus Valla, Linköping, 10:15 (English)
Opponent
Supervisors
Available from: 2015-05-08 Created: 2015-05-08 Last updated: 2016-08-31Bibliographically approved
Paul, B., Schroeder, J. L., Kerdsongpanya, S., van Nong, N., Schell, N., Ostach, D., . . . Eklund, P. (2015). Mechanism of Formation of the Thermoelectric Layered Cobaltate Ca3Co4O9 by Annealing of CaO-CoO Thin Films. Advanced Electronic Materials, 1(3), Article ID 1400022.
Open this publication in new window or tab >>Mechanism of Formation of the Thermoelectric Layered Cobaltate Ca3Co4O9 by Annealing of CaO-CoO Thin Films
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2015 (English)In: Advanced Electronic Materials, ISSN 2199-160X, Vol. 1, no 3, article id 1400022Article in journal (Refereed) Published
Abstract [en]

The layered cobaltate Ca3Co4O9 is of interest for energy-harvesting and heat-conversion applications because of its good thermoelectric properties and the fact that the raw materials Ca and Co are nontoxic, abundantly available, and inexpensive. While single-crystalline Ca3Co4O9 exhibits high Seebeck coefficient and low resistivity, its widespread use is hampered by the fact that single crystals are too small and expensive. A promising alternative approach is the growth of highly textured and/or epitaxial Ca3Co4O9 thin films with correspondingly anisotropic properties. Here, we present a two-step sputtering/annealing method for the formation of highly textured virtually phase-pure Ca3Co4O9 thin films by reactive cosputtering from Ca and Co targets followed by an annealing process at 730 °C under O2-gas flow. The thermally induced phase transformation mechanism is investigated by in situ time-resolved annealing experiments using synchrotron-based 2D X-ray diffraction (XRD) as well as ex situ annealing experiments and standard lab-based XRD. By tuning the proportion of initial CaO and CoO phases during film deposition, the method enables synthesis of Ca3Co4O9 thin films as well as CaxCoO2. With this method, we demonstrate production of epitaxial Ca3Co4O9 thin films with in-plane electrical resistivity of 6.44 mΩ cm and a Seebeck coefficient of 118 μV K−1 at 300 K.

Place, publisher, year, edition, pages
Wiley-Blackwell, 2015
Keywords
Thermoelectrics, Ca3Co4O9, thin film, sputtering, phase transformation
National Category
Condensed Matter Physics Other Materials Engineering Nano Technology
Identifiers
urn:nbn:se:liu:diva-117610 (URN)10.1002/aelm.201400022 (DOI)000357653900004 ()
Funder
EU, European Research Council, 335383Swedish Research Council, 2012-4430Swedish Research Council, 2011-6505Swedish Foundation for Strategic Research , Future Research Leaders 5
Available from: 2015-05-06 Created: 2015-05-06 Last updated: 2016-02-16Bibliographically approved
Kerdsongpanya, S., Alling, B. & Eklund, P. (2013). Phase stability of ScN-based solid solutions for thermoelectric applications from first-principles calculations. Journal of Applied Physics, 114(7)
Open this publication in new window or tab >>Phase stability of ScN-based solid solutions for thermoelectric applications from first-principles calculations
2013 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 114, no 7Article in journal (Refereed) Published
Abstract [en]

We have used first-principles calculations to investigate the trends in mixing thermodynamics of ScN-based solid solutions in the cubic B1 structure. 13 different Sc1−xMxN (M = Y, La, Ti, Zr, Hf, V, Nb, Ta, Gd, Lu, Al, Ga, In) and three different ScN1−xAx (A = P, As, Sb) solid solutions are investigated and their trends for forming disordered or ordered solid solutions or to phase separate are revealed. The results are used to discuss suitable candidate materials for different strategies to reduce the high thermal conductivity in ScN-based systems, a material having otherwise promising thermoelectric properties for medium and high temperature applications. Our results indicate that at a temperature of T = 800 °C, Sc1−xYxN; Sc1−xLaxN; Sc1−xGdxN, Sc1−xGaxN, and Sc1−xInxN; and ScN1−xPx, ScN1−xAsx, and ScN1−xSbx solid solutions have phase separation tendency, and thus, can be used for forming nano-inclusion or superlattices, as they are not intermixing at high temperature. On the other hand, Sc1−xTixN, Sc1−xZrxN, Sc1−xHfxN, and Sc1−xLuxN favor disordered solid solutions at T = 800 °C. Thus, the Sc1−xLuxN system is suggested for a solid solution strategy for phonon scattering as Lu has the same valence as Sc and much larger atomic mass.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2013
Keywords
ab initio calculations, aluminium compounds, gadolinium compounds, gallium compounds, hafnium compounds, indium compounds, lanthanum compounds, lutetium alloys, mixing, niobium compounds, nitrogen compounds, phase separation, scandium compounds, solid solutions, superlattices, tantalum compounds, thermal conductivity, thermoelectricity, titanium compounds, vanadium compounds, yttrium compounds, zirconium compounds
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-97662 (URN)10.1063/1.4818415 (DOI)000323510900021 ()
Note

Funding Agencies|Swedish Research Council (VR)|621-2009-5258621-2012-4430621-2011-4417|Linnaeus Strong Research Environment LiLi-NFM||Swedish Foundation for Strategic Research||Linkoping Center in Nanoscience and technology (CeNano)||

Available from: 2013-09-19 Created: 2013-09-19 Last updated: 2017-12-06
Kerdsongpanya, S., Alling, B. & Eklund, P. (2012). Effect of point defects on the electronic density of states of ScN studied by first-principles calculations and implications for thermoelectric properties. Physical Review B. Condensed Matter and Materials Physics, 86(19)
Open this publication in new window or tab >>Effect of point defects on the electronic density of states of ScN studied by first-principles calculations and implications for thermoelectric properties
2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, no 19Article in journal (Refereed) Published
Abstract [en]

We have investigated the effect of defects and impurities on the electronic density of states of scandium nitride using first-principles calculations with the generalized gradient approximation and hybrid functionals for the exchange correlation energy. Our results show that Sc and N vacancies can introduce asymmetric peaks in the density of states close to the Fermi level. We also find that the N vacancy states are sensitive to total electron concentration of the system due to their possibility for spin polarization. Substitutional point defects shift the Fermi level in the electronic band according to their valence but do not introduce sharp features. The energetics and electronic structure of defect pairs are also studied. By using hybrid functional calculations, a correct description of the band gap of scandium nitride is obtained. Our results envisage ways for improving the thermoelectric figure of merit of ScN by electronic structure engineering through stoichiometry tuning and doping.

Place, publisher, year, edition, pages
American Physical Society, 2012
National Category
Engineering and Technology
Identifiers
urn:nbn:se:liu:diva-87213 (URN)10.1103/PhysRevB.86.195140 (DOI)000311694200001 ()
Available from: 2013-01-14 Created: 2013-01-14 Last updated: 2017-12-06
Kerdsongpanya, S. (2012). Scandium Nitride Thin Films for Thermoelectrics. (Licentiate dissertation). Linköping: Linköping University Electronic Press
Open this publication in new window or tab >>Scandium Nitride Thin Films for Thermoelectrics
2012 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

Thermoelectric devices are one of the promising energy harvesting technologies, since they can convert heat (i.e. a temperature gradient) to electricity. This result leads us to use them to harvest waste heat from heat engines or in power plants to generate usable electricity. Moreover, thermoelectric devices can also perform cooling. The conversion process is clean, with no emission of greenhouse gases during the process. However, the converting efficiency of thermoelectrics is very low because of the materials limitations of the thermoelectric figure of merit (ZTm). Thus, there is high demand to maximize the ZTm.

I have discovered that ScN has high power factor 2.5 mW/(mK2) at 800 K, due to low metalliclike electrical resistivity (∼3.0 μΩm) with retained relatively large Seebeck coefficient of -86 μV/K. The ScN thin films were grown by reactive dc magnetron sputtering from Sc targets. For ScN, X-ray diffraction, supported by transmission electron microscopy, show that we can obtain epitaxial ScN(111) on Al2O3(0001). We also reported effects on thermoelectric properties of ScN with small changes in the composition with the power factor changing one order of magnitude depending on e.g. oxygen, carbon and fluorine content which were determined by elastic recoil detection analysis. The presence of impurities may influence the electronic density of states or Fermi level (EF) which could yield enhancement of power factor.

Therefore, the effects of defects and impurities on the electronic density of states of scandium nitride were investigated using first-principles calculations with general gradient approximation and hybrid functionals for the exchange correlation energy. Our results show that for Sc and N vacancies can introduce asymmetric peaks in the density of states close to the Fermi level. We also find that the N vacancy states are sensitive to total electron concentration of the system due to their possibility for spin polarization. Substitutional point defects shift the Fermi level in the electronic band according to their valence but do not introduce sharp features. The energetics and electronic structure of defect pairs are also studied. By using hybrid functionals, a correct description of the open band gap of scandium nitride is obtained, in contrast to regular general gradient approximation. Our results envisage ways for improving the thermoelectric figure of merit of ScN by electronic structure engineering through stoichiometry tuning and doping.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2012. p. 72
Series
Linköping Studies in Science and Technology. Thesis, ISSN 0280-7971 ; 1559
National Category
Natural Sciences
Identifiers
urn:nbn:se:liu:diva-85917 (URN)LIU-TEK-LIC-2012:44 (Local ID)978-91-7519-733-3 (ISBN)LIU-TEK-LIC-2012:44 (Archive number)LIU-TEK-LIC-2012:44 (OAI)
Presentation
2012-12-11, Planck, Fysikhuset, Campus Valla, Linköpings universitet, Linköping, 10:15 (English)
Opponent
Supervisors
Available from: 2012-12-03 Created: 2012-12-03 Last updated: 2016-08-31Bibliographically approved
Kerdsongpanya, S., Hellman, O., Sun, B., Koh, Y. K., Van Nong, N., Lu, J., . . . Eklund, P.Phonon Thermal Conductivity of Scandium Nitride for Thermoelectric Applications from First-Principles Calculations.
Open this publication in new window or tab >>Phonon Thermal Conductivity of Scandium Nitride for Thermoelectric Applications from First-Principles Calculations
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(English)Manuscript (preprint) (Other academic)
Abstract [en]

The knowledge of lattice thermal conductivity of materials under realistic conditions is vitally important since most technologies either require either high or low thermal conductivity. Here, we propose a theoretical model for determining lattice thermal conductivity with the effect of microstructure. This is based on ab initio description that includes the temperature dependence of the interatomic force constants, and treats anharmonic lattice vibrations. We choose ScN as a model system, comparing the computational predictions with the experimental data by Time Domain Thermoreflectance (TDTR). Our results show a trend of reduction in lattice thermal conductivity with decreasing grain size, with good agreement between the theoretical model and experimental data. There results suggest a possibility to control thermal conductivity by tailoring the microstructure of ScN. More importantly, we provide a predictive tool for the effect of the microstructure on the lattice thermal conductivity of materials based on first-principles calculations.

Keywords
Thermal conductivity, Scandium nitride, Thermoelectrics, First-principles calculations, Anharmonic approximation
National Category
Physical Sciences
Identifiers
urn:nbn:se:liu:diva-117756 (URN)
Available from: 2015-05-08 Created: 2015-05-08 Last updated: 2015-05-08
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