Optimized electronic properties and nano-structural features for securing high thermoelectric performance in doped GeTe.

Recently, thermoelectric (TE) materials have been attracting great attention due to their improved capability to convert heat directly into electricity. PbTe-based TE materials are among the most competitive ones; however, lead toxicity limits their potential applications. Thus, the current focus in the field is on the discovery of lead-free analogues. GeTe is considered to be a promising candidate, however, its thermoelectric performance is limited by a non-ideal band structure and intrinsic Ge vacancies. In this work, GeTe was co-doped with Bi, Zn, and In. Initial doping with Bi enhances the performance by tuning the electronic properties and bringing down the thermal conductivity. Subsequent Zn doping permits to maintain the high power factor by increasing carrier mobility and reducing carrier concentration. Additionally, Zn incorporation lowers thermal conductivity and, thus, increases the performance. Subsequent In doping in (Ge0.97Zn0.02In0.01Te)0.97(Bi2Te3)0.03 reduces thermal conductivity even further and makes this material the best performing one. Scanning transmission electron microscopy shows the presence of nano twinning, defect layers, and dislocation bands that contribute to the suppression of the lattice thermal conductivity. A peak zT value of 2.06 and an average zT value of 1.30 have been achieved in (Ge0.97Zn0.02In0.01Te)0.97(Bi2Te3)0.03. These results are among the best state-of-the-art thermoelectric materials.

Thermoelectric Properties of Hot-Pressed Ba3Cu14-δTe12.

The aim of this study was to investigate the thermoelectric properties of hot-pressed Ba3Cu14-δTe12 as well as its stability with regards to Cu ion movement. For the latter, two single crystals were picked from pellets after they were measured up to 573 and 673 K, which showed no significant changes in the occupancies of any of the Cu sites. All investigated Ba3Cu14-δTe12 materials displayed low thermal conductivity values (<1 W m-1 K-1) and appropriate electrical conductivity values (300-600 Ω-1 cm-1). However, the thermopower values were comparably low (<+65 µV K-1), resulting in uncompetitive zT values, with the highest being achieved for Ba3Cu13.175Te12, namely zT = 0.12 at 570 K. In an attempt to decrease the thermal conductivity, and thereby enhance the figure of merit, a brief alloying study with Ag was undertaken. The incorporation of Ag, however, did not produce any significant improvements.

Thermoelectric and Mechanical Properties of Environmentally Friendly Mg2Si0.3Sn0.67Bi0.03/SiC Composites.

In this work, polycrystalline n-type Mg2Si0.30Sn0.67Bi0.03 dispersed with x wt % ß-SiC nanoparticles (x = 0, 0.5, 1.0, 1.5, and 3.0) thermoelectric materials were fabricated by a solid-state reaction in a low-cost container, consolidated by hot-pressing. We obtained figure of merit values zT above 1.4 at 773 K along with enhanced mechanical properties by adding ß-SiC into an Mg2Si0.30Sn0.67Bi0.03 matrix. Incorporation of SiC nanoparticles has thusly simultaneously increased toughness and, depending on the SiC content, thermoelectric performance. The peak figure of merit was improved from zT = 1.33 for Mg2Si0.30Sn0.67Bi0.03 to 1.45 for Mg2Si0.30Sn0.67Bi0.03 with 3 wt % at 773 K.

Effect of mixed occupancies on the thermoelectric properties of BaCu6-xSe1-yTe6+y polychalcogenides.

The title materials have been reported earlier to be p-type thermoelectrics when x = 0.1 and y = 0. Here, we studied the properties after varying the Cu and the Se/Te concentrations. At first, materials with the same nominal Cu concentration, 5.9 Cu per formula unit, and different Se/Te ratios were prepared. The different thermoelectric properties indicated that the Se/Te ratio strongly affected the Cu deficiency, which is directly responsible for the charge carrier concentration. Single crystal structure data revealed the Cu amount to be less than 5.8 per formula unit when y = 0.4; therefore a sample of nominal composition "BaCu5.74Se0.46Te6.54" was also studied. This sample exhibited an electrical conductivity of 685 Ω-1 cm-1 at room temperature, which is almost three times larger than in case of "BaCu5.9SeTe6", in accord with the lower Cu amount causing a larger hole concentration. The larger mass fluctuation on the Se/Te site resulted in a lower lattice thermal conductivity, but the decreased Seebeck coefficient mitigated a performance increase in form of a higher figure-of-merit. In contrast to other Cu chalcogenides, the data are reproducible under the measurement conditions.