• Bulletin of the Korean Chemical Society
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• 제11권5호
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• pp.464-466
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• 1990

A ternary Zintl phase material of the formula $K_2Ga_2Sb_4$ has been prepared directly from reaction of the elements following a high temperature procedure. The compound consists of potassium ions and planar ribbons of $(Ga_2Sb_4^{-2})_{\infty}$ consisting of five membered $[Ga_2Sb_3]$ rings bridged by Sb atoms. The variable temperature specific resistivity measurements show the material to be an intrinsic semiconductor.

• 한국재료학회지
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• 제32권6호
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• pp.287-292
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• 2022

Magnesium-antimonide is a well-known zintl phase thermoelectric material with low band gap energy, earth-abundance and characteristic electron-crystal phonon-glass properties. The nominal composition Mg_3.8-xZn_xSb₂ (0.00 ≤ x ≤ 0.02) was synthesized by controlled melting and subsequent vacuum hot pressing method. To investigate phase development and surface morphology during the process, X-ray diffraction (XRD) and scanning electron microscopy (SEM) were carried out. It should be noted that an additional 16 at. % Mg must be added to the system to compensate for Mg loss during the melting process. This study evaluated the thermoelectric properties of the material in terms of Seebeck coefficient, electrical conductivity and thermal conductivity from the low to high temperature regime. The results demonstrated that substituting Zn at Mg sites increased electrical conductivity without significantly affecting the Seebeck coefficient. The maximal dimensionless figure of merit achieved was 0.30 for x = 0.01 at 855 K which is 30% greater than the intrinsic value. Electronic flow properties were also evaluated and discussed to explain the carrier transport mechanism involved in the thermoelectric properties of this alloy system.

• 한국재료학회지
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• 제31권8호
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• pp.445-449
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• 2021

Zintl compound Mg₃Sb₂ is a promising candidate for efficient thermoelectric material due to its small band gap energy and characteristic electron-crystal phonon-glass behavior. Furthermore, this compound enables fine tuning of carrier concentration via chemical doping for optimizing thermoelectric performance. In this study, nominal compositions of Mg_3.8Sb_2-xTe_x (0 ≤ x ≤ 0.03) are synthesized through controlled melting and subsequent vacuum hot pressing method. X-ray diffraction (XRD) and scanning electron microscopy (SEM) are carried out to investigate phase development and surface morphology during the process. It should be noted that 16 at. % of excessive Mg must be added to the system to compensate for the loss of Mg during melting process. Herein, thermoelectric properties such as Seebeck coefficient, electrical conductivity, and thermal conductivity are evaluated from low to high temperature regimes. The results show that Te substitution at Sb sites effectively tunes the majority carriers from holes to electrons, resulting in a transition from p to n-type. At 873 K, a peak ZT value of 0.27 is found for the specimen Mg_3.8Sb_1.99Te_0.01, indicating an improved ZT value over the intrinsic value.

• 한국재료학회지
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• 제32권3호
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• pp.132-138
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• 2022

Zintl phase Mg₃Sb₂ is a promising thermoelectric material in medium to high temperature range due to its low band gap energy and characteristic electron-crystal phonon-glass behavior. P-type Mg₃Sb₂ has conventionally exhibited lower thermoelectric properties compared to its n-type counterparts, which have poor electrical conductivity. To address these problems, a small amount of Sn doping was considered in this alloy system. P-type Mg₃Sb₂ was synthesized by controlled melting, pulverizing, and subsequent vacuum hot pressing (VHP) method. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used to investigate phases and microstructure development during the process. Single phase Mg₃Sb₂ was successfully formed when 16 at.% of Mg was excessively added to the system. Nominal compositions of Mg_3.8Sb_2-xSn_x (0 ≤ x ≤ 0.008) were considered in this study. Thermoelectric properties were evaluated in terms of Seebeck coefficient, electrical conductivity, and thermal conductivity. A peak ZT value ≈ 0.32 was found for the specimen Mg_3.8Sb_1.994Sn_0.006 at 873 K, showing an improved ZT value compared to intrinsic one. Transport properties were also evaluated and discussed.

• Bulletin of the Korean Chemical Society
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• 제33권1호
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• pp.153-158
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• 2012

The hydrogenation of $AlB_2$-type BaGaGe exhibits a metal to insulator (MI) transition, inducing a puckering distortion of the original hexagonal [GaGe] layers. We investigate the electronic structure changes associated with the hydrogen-induced MI transition, using extended H$\ddot{u}$ckel tight-binding band calculations. The results indicate that hydrogen incorporation in the precursor BaGaGe is characterized by an antibonding interaction of $\pi$ on GaGe with hydrogen 1s and the second-order mixing of the singly occupied antibonding $\pi^*$ orbital into it, through Ga-H bond formation. As a result, the fully occupied bonding $\pi$ band in BaGaGe changes to a weakly dispersive band with Ge pz (lone pair) character in the hydride, which becomes located just below the Fermi level. The Ga-Ge bonds within a layered polyanion are slightly weakened by hydrogen incorporation. A rationale for this is given.