Thermoelectric properties and electronic structure of Zintl compound BaZn2Sb2

Wang, Xiaojun; Tang, Mingfang; Zhao, Jimin; Chen, Hao‐Hong; Yang, Xinxin

doi:10.1063/1.2746408

Cited by 76 publications

(72 citation statements)

References 18 publications

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“…1). Promising ZT-values were found for the ternaries EuZn 2 Sb 2 with ZT = 0.92 at 713 K, 4 EuCd 2 Sb 2 with ZT = 0.6 at 617 K, 5 BaZn 2 Sb 2 with ZT = 0.31 at 675 K, 6 for compounds in the quaternary systems Ca x Yb 1Àx Zn 2 Sb 2 (x = 1) with ZT = 0.56 at 773 K, 7 Eu(Zn 1Àx Cd x ) 2 Sb 2 (x = 0.1) with ZT = 1.06 at 650 K, 8 YbCd 2Àx Zn x Sb 2 (x = 0.4) with ZT = 1.2 at 700 K, 9 and YbZn 2Àx Mn x Sb 2 (x = 0.1) with ZT = 0.65 at 726 K. 10 The good thermoelectric properties of these materials were attributed to the similar electronegativities of Zn, Cd, and Sb, leading to sufficient carrier mobility, as well as the high atomic mass of Sb, leading to low lattice thermal conductivity. 11 Another representative for this type of compounds is SrZn 2 Sb 2 ( Fig.…”

Section: Introductionmentioning

confidence: 95%

Thermoelectric Properties of Polycrystalline SrZn2Sb2 Prepared by Spark Plasma Sintering

Zhang

Tang

Schnelle

et al. 2010

Journal of Elec Materi

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Compact polycrystalline samples of SrZn 2 Sb 2 [space group P3m1, a = 4.503(1) Å , c = 7.721(1) Å ] were prepared by spark plasma sintering. Thermoelectric performance, Hall effect, and magnetic properties were investigated in the temperature range from 2 K to 650 K. The thermoelectric figure of merit ZT was found to increase with temperature up to ZT = 0.15 at 650 K. At this temperature the material showed a high Seebeck coefficient of +230 lV K À1 , low thermal conductivity of 1.3 W m À1 K À1 , but rather low electrical conductivity of 54 S cm À1 , together with a complex temperature behavior. SrZn 2 Sb 2 is a diamagnetic p-type conductor with a carrier concentration of 5 9 10 18 cm À3 at 300 K. The electronic structure was calculated within the density-functional theory (DFT), revealing a low density of states (DOS) of 0.43 states eV À1 cell À1 at the Fermi level.

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Section: Introductionmentioning

confidence: 95%

Thermoelectric Properties of Polycrystalline SrZn2Sb2 Prepared by Spark Plasma Sintering

Zhang

Tang

Schnelle

et al. 2010

Journal of Elec Materi

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“…For instance, compounds belonging to the AZn2Sb2 (A = Ca, Sr, Ba, Eu, Yb) family are stable to both vacancies and substitutions on each crystallographic site. 15,16 In addition, these materials contain elements that are more biocompatible or more readily available than other state-of-the-art materials containing heavily regulated (Pb) or less abundant (Te) elements. 17 However, with many possible compositions and structures, it is often challenging to predictably synthesize a target compound in a phase pure manner.…”

Section: Introductionmentioning

confidence: 99%

Expanding the I–II–V Phase Space: Soft Synthesis of Polytypic Ternary and Binary Zinc Antimonides

et al. 2018

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Soft chemistry methods offer the possibility of synthesizing metastable and kinetic products that are unobtainable through thermodynamically-controlled, high-temperature reactions. A recent solution-phase exploration of Li-Zn-Sb phase space revealed a previously unknown cubic half-Heusler MgAgAs-type LiZnSb polytype. Interestingly, this new cubic phase was calculated to be the most thermodynamically stable, despite prior literature reporting only two other ternary phases (the hexagonal half-Heusler LiGaGe-type LiZnSb, and the full-Heusler Li2ZnSb). This surprising discovery, coupled with the intriguing optoelectronic and transport properties of many antimony containing Zintl phases, required a thorough exploration of syn-thetic parameters. Here, we systematically study the effects that different precursor concentrations, injection order, nucleation and growth temperatures, and reaction time have on the solution-phase synthesis of these materials. By doing so, we identify conditions that selectively yield several unique ternary (c-LiZnSb vs. h*-LiZnSb), binary (ZnSb vs. Zn8Sb7), and metallic (Zn, Sb) products. Further, we find one of the ternary phases adopts a variant of the previously observed hexagonal LiZnSb struc-ture. Our results demonstrate the utility of low temperature solution phase-soft synthesis-methods in accessing and mining a rich phase space. We anticipate that this work will motivate further exploration of multinary I-II-V compounds, as well as encourage similarly thorough investigations of related Zintl systems by solution phase methods. Disciplines Materials ChemistryComments "This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Chemistry of Materials, copyright © American Chemical Society after peer review. To access the final edited and published work see http://dx.doi.org/10.1021/acs.chemmater.8b02910. ABSTRACT: Soft chemistry methods offer the possibility of synthesizing metastable and kinetic products that are unobtainable through thermodynamically-controlled, high-temperature reactions. A recent solution-phase exploration of Li-Zn-Sb phase space revealed a previously unknown cubic half-Heusler MgAgAs-type LiZnSb polytype. Interestingly, this new cubic phase was calculated to be the most thermodynamically stable, despite prior literature reporting only two other ternary phases (the hexagonal half-Heusler LiGaGe-type LiZnSb, and the full-Heusler Li2ZnSb). This surprising discovery, coupled with the intriguing optoelectronic and transport properties of many antimony containing Zintl phases, required a thorough exploration of synthetic parameters. Here, we systematically study the effects that different precursor concentrations, injection order, nucleation and growth temperatures, and reaction time have on the solution-phase synthesis of these materials. By doing so, we identify conditions that selectively yield several unique ternary (c-LiZnSb vs. h*-LiZnSb), binary (ZnSb vs. Zn8Sb7), and metallic (Zn, Sb) products. Furt...

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“…[2][3][4][5][6][7][8] In general, ternary antimonides that are understood using Zintl chemistry have received significant attention within the thermoelectric community due to their tunability and structural complexity. [9][10][11][12][13][14][15][16][17][18] However, the analogous bismuthides have received much less attention. This work is motivated by electrical resistivity and Hall effect measurements on AMg 2 Bi 2 single crystals that revealed properties similar to those in AZn 2 Sb 2 .…”

Section: Introductionmentioning

confidence: 99%

Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi
May
¹
,
McGuire
²
,
Singh
³

et al. 2012
Phys. Rev. B

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The thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2 were characterized between 2 and 650 K. As synthesized, the polycrystalline samples are found to have lower p-type carrier concentrations than single-crystalline samples of the same empirical formula. These low carrier concentration samples possess the highest mobilities yet reported for materials with the CaAl2Si2 structure type, with a mobility of ∼740 cm 2 /V/s observed in EuMg2Bi2 at 50 K. Despite decreases in the Seebeck coefficient (α) and electrical resistivity (ρ) with increasing temperature, the power factor (α 2 /ρ) increases for all temperatures examined. This behavior suggests a strong asymmetry in the conduction of electrons and holes. The highest figure of merit (zT ) is observed in YbMg2Bi2, with zT approaching 0.4 at 600 K for two samples with carrier densities of approximately 2×1018 cm −3 and 8×10 18 cm −3 at room temperature. Refinements of neutron powder diffraction data yield similar behavior for the structures of CaMg2Bi2 and YbMg2Bi2, with smooth lattice expansion and relative expansion in c being ∼35% larger than relative expansion in a at 973 K. First principles calculations reveal an increasing band gap as Bi is replaced by Sb then As, and subsequent Boltzmann transport calculations predict an increase in α for a given n associated with an increased effective mass as the gap opens. The magnitude and temperature dependence of α suggests higher zT is likely to be achieved at larger carrier concentrations, roughly an order of magnitude higher than those in the current polycrystalline samples, which is also expected from the detailed calculations.

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Thermoelectric properties and electronic structure of Zintl compound BaZn2Sb2

Cited by 76 publications

References 18 publications

Thermoelectric Properties of Polycrystalline SrZn2Sb2 Prepared by Spark Plasma Sintering

Thermoelectric Properties of Polycrystalline SrZn2Sb2 Prepared by Spark Plasma Sintering

Expanding the I–II–V Phase Space: Soft Synthesis of Polytypic Ternary and Binary Zinc Antimonides

Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi
May
¹
,
McGuire
²
,
Singh
³

et al. 2012
Phys. Rev. B

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Thermoelectric properties and electronic structure of Zintl compound BaZn2Sb2

Cited by 76 publications

References 18 publications

Thermoelectric Properties of Polycrystalline SrZn2Sb2 Prepared by Spark Plasma Sintering

Thermoelectric Properties of Polycrystalline SrZn2Sb2 Prepared by Spark Plasma Sintering

Expanding the I–II–V Phase Space: Soft Synthesis of Polytypic Ternary and Binary Zinc Antimonides

Thermoelectric transport properties of CaMg2Bi2, EuMg2BiMay1, McGuire2, Singh3 et al. 2012Phys. Rev. B

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Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi
May
¹
,
McGuire
²
,
Singh
³

et al. 2012
Phys. Rev. B