journal article·2016-02

Reversible structural transition in spark plasma-sintered thermoelectric Zn4Sb3

T. Zhang, K. Zhou, X. F. Li, Z. Q. Chen, X. L. Su, X. F. Tang

Journal of Materials Science· Volume 51· Issue 4
Publisher page

Abstract

Thermoelectric Zn4Sb3 prepared by spark plasma sintering (SPS) method has been studied by X-ray diffraction (XRD) and positron annihilation spectroscopy. A reversible structural transformation between β-Zn4Sb3 and ZnSb was confirmed by XRD measurements. It was found that the as-milled powder is composed of the pure β-Zn4Sb3 phase, but after SPS, one side of the sintered sample changes to the ZnSb phase. Upon annealing at 300 °C, the ZnSb phase converts back to β-Zn4Sb3 phase. During these phase transition processes, Zn migration driven by direct current and Zn diffusion activated by annealing play important roles. Another interesting finding is that excess Zn can suppress the decomposition of β-Zn4Sb3 into ZnSb and Zn. Positron annihilation lifetime measurements confirm that the diffusion of Zn introduces large amounts of vacancy clusters in the ZnSb-side, and most of them are recovered when the ZnSb phase converts back to β-Zn4Sb3 due to the migration of Zn driven by annealing. The positron lifetime results further show the acceleration of Zn migration at about 150 °C. The existence of Zn vacancies is also observed in the β-Zn4Sb3 structure.
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Research context

OpenAlex topics: Advanced Thermoelectric Materials and Devices · Semiconductor materials and interfaces · Electronic Packaging and Soldering Technologies

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References (35)

Show source-provided references
1. Sales BC, Mandrus D, Williams RK (1996) Filled skutterudite antimonides: a new class of thermoelectric materials. Science 272:1325–132810.1126/science.272.5266.1325 ↗
2. Venkatasubramanian R, Siivola E, Colpitts T, O’Quinn B (2001) Thin-film thermoelectric devices with high room-temperature figures of merit. Nature 413:597–60210.1038/35098012 ↗
3. Mahan G, Sales B, Sharp J (1997) Thermoelectric materials: new approaches to an old problem. Phys Today 50:4210.1063/1.881752 ↗
4. Tritt TM (1996) Thermoelectrics run hot and cold. Science 272:1276–127710.1126/science.272.5266.1276 ↗
5. Tritt TM (1999) Holey and unholey semiconductors. Science 283:804–80510.1126/science.283.5403.804 ↗
6. Sales BC (1998) Electron crystals and phonon glasses: a new path to improved thermoelectric materials. MRS Bull 23:15–2110.1557/S0883769400031419 ↗
7. Caillat T, Fleurial J-P, Borshchevsky A (1997) Preparation and thermoelectric properties of semiconducting Zn4Sb3. J Phys Chem Solids 58:1119–112510.1016/S0022-3697(96)00228-4 ↗
8. Toberer ES, Rauwel P, Gariel S, Taftø J, Snyder GJ (2010) Composition and the thermoelectric performance of β-Zn4Sb3. J Mater Chem 20:987710.1039/c0jm02011g ↗
9. Toberer ES, Sasaki KA, Chisholm CRI, Haile SM, Goddard WA, Snyder GJ (2007) Local structure of interstitial Zn in β-Zn4Sb3. Phys Status Solidi 1:253–25510.1002/pssr.200701168 ↗
10. Snyder GJ, Christensen M, Nishibori E, Caillat T, Iversen BB (2004) Disordered zinc in Zn4Sb3 with phonon-glass and electron-crystal thermoelectric properties. Nat Mater 3:458–46310.1038/nmat1154 ↗
11. Li X, Carrete J, Lin J, Qiao G, Wang Z (2013) Atomistic origin of glass-like Zn4Sb3 thermal conductivity. Appl Phys Lett 103:10390210.1063/1.4820247 ↗
12. Schweika W, Hermann RP, Prager M, Perbon J, Kepperns V (2007) Dumbbell rattling in thermoelectric zinc antimony. Phys Rev Lett 99:12550110.1103/PhysRevLett.99.125501 ↗
13. Mozharivskyj Y, Pecharsky AO, Bud'ko S, Miller GJ (2004) A promising thermoelectric material: Zn4Sb3 or Zn6−δSb5. Its composition, structure, stability, and polymorphs. Structure and stability of Zn1−δSb. Chem Mater 16:1580–158910.1021/cm035274a ↗
14. Lin J, Li X, Qiao G, Wang Z, Carrete J, Ren Y, Ma L, Fei Y, Yang B, Lei L, Li J (2014) Unexpected high-temperature stability of β-Zn4Sb3opens the door to enhanced thermoelectric performance. J Am Chem Soc 136:1497–150410.1021/ja410605f ↗
15. Iversen BB (2010) Fullling thermoelectric promises: β-Zn4Sb3 from materials research to power generation. J Mater Chem 20:10778–1078710.1039/c0jm02000a ↗
16. Pedersen BL, Iversen BB (2008) Thermally stable thermoelectric Zn4Sb3 by zone-melting synthesis. Appl Phys Lett 92:16190710.1063/1.2916705 ↗
17. Stiewe C, Dasgupta T, Böettcher L, Pedersen B, Müeller E, Iversen B (2010) Thermoelectric characterization of zone-melted and quenched Zn4Sb3. J Electron Mater 39:1975–198010.1007/s11664-009-1044-4 ↗
18. Mozharivskyj Y, Janssen Y, Harringa JL, Kracher A, Tsokol AO, Miller GJ (2006) Zn13Sb10: a structural and landau theoretical analysis of its phase transitions. Chem Mater 18:822–83110.1021/cm0515505 ↗
19. Zhang LT, Tsutsui M, Ito K, Yamaguchi M (2003) Effects of ZnSb and Zn inclusions on the thermoelectric properties of β-Zn4Sb3. J Alloys Compd 358:252–25610.1016/S0925-8388(03)00074-4 ↗
20. Eklöf D, Fischer A, Wu Y, Scheidt E-W, Scherer W, Häussermann U (2013) Transport properties of the II–V semiconductor ZnSb. J Mater Chem A 1:1407–141410.1039/C2TA00509C ↗
21. Yin H, Christensen M, Lock N, Iversen BB (2012) Zn migration during spark plasma sintering of thermoelectric Zn4Sb3. Appl Phys Lett 101:04390110.1063/1.4731764 ↗
22. Yin H, Pedersen BL, Iversen BB (2011) Thermal stability of high performance thermoelectric β-Zn4Sb3 in argon. Eur J Inorg Chem 17:2733–273710.1002/ejic.201100130 ↗
23. Rauwel P, Løvvik OM, Rauwel E, Taftø J (2011) Nanovoids in thermoelectric β-Zn4Sb3: a possibility for nanoengineering via Zn diffusion. Acta Mater 59:5266–527510.1016/j.actamat.2011.05.003 ↗
24. Chalfin E, Lu H, Dieckmann R (2007) Cation tracer diffusion in the thermoelectric materials. Solid State Ion 178:447–45610.1016/j.ssi.2007.01.026 ↗
25. Krause-Rehberg R, Leipner HS (1999) Positron annihilation in semiconductors: defect studies, vol 127. Springer, Berlin Heidelberg10.1007/978-3-662-03893-2 ↗
26. Tuomisto F, Makkonen I (2013) Defect identication in semiconductors with positron annihilation: experiment and theory. Rev Mod Phys 85:158310.1103/RevModPhys.85.1583 ↗
27. Kirkegaard P, Eldrup M, Mogensen OE, Pedersen NJ (1981) Program system for analysing positron lifetime spectra and angular correlation curves. Comput Phys Commun 23:307–33510.1016/0010-4655(81)90006-0 ↗
28. Torsti T, Eirola T, Enkovaara J, Hakala T, Havu P, Havu V, Häoynälänmaa T, Ignatius J, Lyly M, Makkonen I, Rantala TT, Ruokolainen J, Ruotsalainen K, Räsänen E, Saarikoski H, Puska MJ (2006) Three real-space discretization techniques in electronic structure calculations. Phys Status Solidi b 243:1016–105310.1002/pssb.200541348 ↗
29. Puska MJ, Nieminen RM (1994) Theory of positrons in solids and on solid surfaces. Rev Mod Phys 66:841–89710.1103/RevModPhys.66.841 ↗
30. Boroński E, Nieminen RM (1986) Electron–positron density-functional theory. Phys Rev B 34:382010.1103/PhysRevB.34.3820 ↗
31. Lin J, Qiao G, Ma L, Ren Y, Yang B, Fei Y, Lei L (2013) Heterogeneous in-situ nanostructure contributes to the thermoelectric. Appl Phys Lett 103:16390210.1063/1.4802780 ↗
32. Yin H, Blichfeld AB, Christensen M, Iversen BB (2014) Fast direct synthesis and compaction of homogenous phase-pure thermoelectric Zn4Sb3. Appl Mater Interfaces 6:10542–1054810.1021/am502089a ↗
33. Løvvik OM, Rauwel P, Prytz Ø (2011) Self-diffusion in Zn4Sb3 from first-principles molecular dynamics. Comput Mater Sci 50:2663–266510.1016/j.commatsci.2011.04.015 ↗
34. Prytz Ø, Gunnæs AE, Karlsena OB, Breivika TH, Toberer ES, Snyder GJ, Taft ø (2009) Nanoscale inclusions in the phonon glass thermoelectric. Phil Mag Lett 89:362–36910.1080/09500830902950464 ↗
35. Zhang T, Zhou K, Chen ZQ (2015) Defect structure of thermoelectric Zn4Sb3. Phys Status Solidi b 252:2179–218410.1002/pssb.201552079 ↗