Thermoelectric properties and electronic structure calculations of low thermal conductivity Zintl phase series M16X11 (M=Ca and Yb; X=Sb and Bi)

Ponnambalam, V.; Gao, Xing; Lindsey, S.; Alboni, P. N.; Su, Zhe; Zhang, B.; Drymiotis, Fivos; Daw, Murray S.; Tritt, Terry M.

doi:10.1016/j.jallcom.2009.04.131

Cited by 11 publications

(3 citation statements)

References 22 publications

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“…Zintl compounds have emerged as a promising class of materials for thermoelectrics 2–9. Zintls are composed of electropositive cations (alkali, alkaline‐earth or rare earth) that donate their electrons to anions, which in turn form covalent bonds to satisfy valence.…”

Section: Introductionmentioning

confidence: 99%

The Zintl Compound Ca₅Al₂Sb₆ for Low‐Cost Thermoelectric Power Generation

Toberer

Zevalkink

Crisosto

et al. 2010

Adv Funct Materials

192

197

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Understanding transport in Zintl compounds is important due to their unusual chemistry, structural complexity, and potential for good thermoelectric performance. Resistivity measurements indicate that undoped Ca5Al2Sb6 is a charge‐balanced semiconductor with a bandgap of 0.5 eV, consistent with Zintl–Klemm charge counting rules. Substituting divalent calcium with monovalent sodium leads to the formation of free holes, and a transition from insulating to metallic electronic behavior is observed. Seebeck measurements yield a hole mass of ∼2me, consistent with a structure containing both ionic and covalent bonding. The structural complexity of Zintl compounds is implicated in their unusually low thermal conductivity values. Indeed, Ca5Al2Sb6 possesses an extremely low lattice thermal conductivity (0.6 W mK−1 at 850 K), which approaches the minimum thermal conductivity limit at high temperature. A single parabolic band model is developed and predicts that Ca4.75Na0.25Al2Sb6 possesses a near‐optimal carrier concentration for thermoelectric power generation. A maximum zT > 0.6 is obtained at 1000 K.Beyond thermoelectric applications, the semiconductor Ca5Al2Sb6 possesses a 1D covalent structure which should be amenable to interesting magnetic interactions when appropriately doped.

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Section: Introductionmentioning

confidence: 99%

The Zintl Compound Ca₅Al₂Sb₆ for Low‐Cost Thermoelectric Power Generation

Toberer

Zevalkink

Crisosto

et al. 2010

Adv Funct Materials

192

197

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“…Measured charge carrier concentrations of 40 known Zintl pnictides is shown as a function of the average oxidation state of the pnictide (Pn) anion. Blue circles denote p-type, red squares n-type [12][13][14][15]18,[20][21][22]30,. 2.4 A Guide to Discover n-type Dopable Zintl PnictidesFigure 4 presents the experimentally measured charge carrier (electrons, holes) concentrations of 40 Zintl pnictides as a function of the average oxidation state of the pnictide (Pn) anion.…”

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confidence: 99%

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confidence: 99%

A simple chemical guide for finding novel n-type dopable Zintl pnictide thermoelectric materials

et al. 2019

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ChemInform Abstract: Thermoelectric Properties and Electronic Structure Calculations of Low Thermal Conductivity Zintl Phase Series M₁₆X₁₁ (M: Ca and Yb; X: Sb and Bi).

Ponnambalam¹,

Gao²,

Lindsey³

et al. 2009

ChemInform

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Electric properties D 8000Thermoelectric Properties and Electronic Structure Calculations of Low Thermal Conductivity Zintl Phase Series M 16 X 11 (M: Ca and Yb; X: Sb and Bi). -The title compounds are obtained either by a flux or solid state method from appropriate amounts of the constituent elements (1100-1150°C) and characterized by electrical resistivity, thermopower, and thermal conductivity measurements over a wide temperature range of 10-1000 K, and electronic band structure calculations using the all electron full potential linearized augmented plane wave plus local orbital method. All the systems are metallic and exhibit a low thermal conductivity of <1 W/mK at higher temperatures. -(PONNAMBALAM*, V.; GAO, X.; LINDSEY, S.; ALBONI, P.; SU, Z.; ZHANG, B.; DRYMIOTIS, F.; DAW, M. S.; TRITT, T. M.; J.

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Thermoelectric properties and electronic structure calculations of low thermal conductivity Zintl phase series M16X11 (M=Ca and Yb; X=Sb and Bi)

Cited by 11 publications

References 22 publications

The Zintl Compound Ca₅Al₂Sb₆ for Low‐Cost Thermoelectric Power Generation

The Zintl Compound Ca₅Al₂Sb₆ for Low‐Cost Thermoelectric Power Generation

A simple chemical guide for finding novel n-type dopable Zintl pnictide thermoelectric materials

ChemInform Abstract: Thermoelectric Properties and Electronic Structure Calculations of Low Thermal Conductivity Zintl Phase Series M₁₆X₁₁ (M: Ca and Yb; X: Sb and Bi).

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Thermoelectric properties and electronic structure calculations of low thermal conductivity Zintl phase series M16X11 (M=Ca and Yb; X=Sb and Bi)

Cited by 11 publications

References 22 publications

The Zintl Compound Ca5Al2Sb6 for Low‐Cost Thermoelectric Power Generation

The Zintl Compound Ca5Al2Sb6 for Low‐Cost Thermoelectric Power Generation

A simple chemical guide for finding novel n-type dopable Zintl pnictide thermoelectric materials

ChemInform Abstract: Thermoelectric Properties and Electronic Structure Calculations of Low Thermal Conductivity Zintl Phase Series M16X11 (M: Ca and Yb; X: Sb and Bi).

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The Zintl Compound Ca₅Al₂Sb₆ for Low‐Cost Thermoelectric Power Generation

The Zintl Compound Ca₅Al₂Sb₆ for Low‐Cost Thermoelectric Power Generation

ChemInform Abstract: Thermoelectric Properties and Electronic Structure Calculations of Low Thermal Conductivity Zintl Phase Series M₁₆X₁₁ (M: Ca and Yb; X: Sb and Bi).