The thermoelectric transport properties with the variations of carrier concentration, temperature and strain of bulk SrCu₂GeSe₄ and BaCu₂SnSe₄ are studied by using the first-principles calculations with the Boltzmann transport equation. A multi-valley degenerate valence band is gained for BaCu₂SnSe₄, which is responsible for its comparatively high power factor. The power factor of p-type doped SrCu₂GeSe₄ is enhanced to 35μWcm⁻¹K⁻² when applying a 2% tensile strain at 300K. The ZT values of 1.01 (0.94) and 1.60 (1.36) are acquired at 700K for n- and p-type BaCu₂SnSe₄ (SrCu₂GeSe₄), respectively, predicting that both the two compounds are hopeful thermoelectric materials.

利用玻尔兹曼输运方程的第一性原理计算，研究了体SrCu ₂ GeSe ₄和BaCu ₂ SnSe ₄随着载流子浓度、温度和应变变化的热电输运性质。BaCu ₂ SnSe ₄获得了多谷简并价带，这是其相对较高的功率因数的原因。当在 300K 下施加 2% 的拉伸应变时，p型掺杂的 SrCu ₂ GeSe ₄的功率因数提高到 35 μ Wcm ^-1 K ^-2。该ZTn 型和p型 BaCu ₂ SnSe ₄ (SrCu ₂ GeSe ₄ )在 700K 下分别获得 1.01 (0.94) 和 1.60 (1.36) 的值，预测这两种化合物都是有希望的热电材料。