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High thermoelectric performance in two dimensional chalcogenides systems: GaSe and GaTe

机译：二维硫属元素化物系统中的高热电性能：Gase和Gate

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摘要

Among the group-III chalcogenides, the two-dimensional (2D) GaSe and GaTe materials have been synthesized, but recent theoretical studies have raised controversial results regarding their thermoelectric (TE) properties. Hereby, systematically investigated the temperature and carrier concentration dependent TE properties of 2D GaSe and GaTe. We found that the GaSe had an indirect band gap of 2.94 eV while the GaTe had an indirect band gap of 1.88 eV. Both materials had almost the same Seebeck coefficients, but the p-type GaTe had the longest carrier relaxation time. We obtained the largest electrical conductivity over the thermal conductivity ratio in p-type GaTe compared with all other systems. This results in a very high p-type ZT of 0.91. Moreover, this high ZT performance is only changed by approximately 7% in a wide range of temperatures (300-700 K) and carrier concentration (10(11)-10(13) hole cm(-2)). Compared with previously reported results, we find that it is necessary to consider the carrier relaxation time and spin-orbit coupling effect for determining reliable TE property. Overall, we propose that the p-type GaTe have outstanding TE property, and it can be utilized for potential TE device applications.
机译：在III族硫属化合物中，已经合成了二维（2D）气体和栅极材料，但最近的理论研究对它们的热电（TE）特性提出了有争议的结果。在此基础上，系统地研究了二维气体和栅极的温度和载流子浓度依赖性TE特性。我们发现GaSe的间接带隙为2.94ev，而栅极的间接带隙为1.88ev。两种材料的塞贝克系数几乎相同，但p型栅极的载流子弛豫时间最长。与所有其他系统相比，我们在p型栅极中获得了最大的热导率。这导致p型ZT非常高，为0.91。此外，在较宽的温度范围（300-700K）和载流子浓度（10（11）-10（13）孔厘米（-2））下，这种高ZT性能仅改变约7%。与以前报道的结果相比，我们发现有必要考虑载流子弛豫时间和自旋轨道耦合效应来确定可靠的TE性质。总的来说，我们认为p型门具有优异的TE特性，可以用于潜在的TE器件应用。

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