Synthesis and properties of CaCd2Sb2 and EuCd2Sb2

Designing high-performance layered thermoelectric materials through orbital engineering

“…Combining the selection criterion −0.06≤ Δ ≤0.06 and band gap E g <1.5 eV, we start the search for promising TE candidates from Zintl compounds. Besides those that have been confirmed by previous references18192021222324252627282930313233, compounds such as SrMg 2 Sb 2 , BaMg 2 Sb 2 , SrMg 2 Bi 2 and BaMg 2 Bi 2 are expected to show good electronic transport properties as well as TE performance. It is worthwhile to note that among these compounds potential TE candidates SrMg 2 Sb 2 and BaMg 2 Sb 2 contain earth-abundant, nontoxic and inexpensive elements.…”

“…Using the single parabolic band model and the assumption of acoustic phonon scattering mechanism, the values of μ 0 ( m */ m e ) 3/2 and maximum zT at optimal carrier concentrations for many reported CaAl 2 Si 2 -type Zintl compounds18202122232526272831323337 are calculated from published Hall data (Supplementary Table 1). The correlation between μ 0 ( m */ m e ) 3/2 (optimum zT ) and Δ is demonstrated in Supplementary Fig.…”

“…Here, taking layered CaAl 2 Si 2 -type Zintl compounds as an example, we combine first principles calculations and reported experimental data18192021222324252627282930313233 to demonstrate how the TE properties can be rationalized in terms of a simple crystal field scheme of orbitals splitting. Thereby, a powerful selection rule only based on band structure parameters is established as a simplified descriptor of electrical transport performance.…”

Enhanced performances of melt spun Bi2(Te,Se)3 for n-type thermoelectric legs

“…The electronic contribution to thermal conductivity was calculated according to the WiedemanneFranz equation: k e ¼ LsT, where L is Lorenz constant and can be taken to be 1.5 Â 10 À8 V 2 K À2 for near-degenerate or degenerate semiconductor [30,31]. The lattice contributions were then calculated by subtraction and are shown in Fig.…”

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

“…The highest figure of merit reported within this family of materials is zT = 1.2 at 700 K in YbCd 1.6 Zn 0.4 Sb 2 , 1 while zT values between 0.5 and 1.1 are typical. [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.…”