Rhombohedral GeSb₅Te₁₀ thin films are synthesized onto Al₂O₃ substrate by a pulsed-DC magnetron sputtering method using a target prepared by hot-pressing method. Thermoelectric properties of these films are studied as a function of temperature from room temperature to 773 K and correlated to the microstructural and surface properties. It is found that the phase transformation from amorphous to rhombohedral phase of GeSb₅Te₁₀, observed in temperature range 473–773 K, involved lattice-swelling and atomic diffusion within the crystalline structure. The completion of phase transformation at annealing temperature 673 K minimized the average crystallite size of thin film and enhanced the Seebeck coefficients (~140 μVK⁻¹) and thermoelectric power factor (~4.5 mWm⁻¹ K⁻²). Molecular orbital simulations of small cluster model, performed using linearly decreasing scattering variable along with the temperature dependent Fermi energy for onto determining the electrical and thermoelectric properties, were found in agreement to the experimental results.

使用通过热压法制备的靶，通过脉冲DC磁控溅射法在Al ₂ O ₃衬底上合成菱面体GeSb ₅ Te ₁₀薄膜。研究了这些薄膜的热电性能，这些温度是室温至773 K的温度函数，并且与微结构和表面性能相关。发现GeSb ₅ Te ₁₀从非晶相向菱面体相转变，在473–773 K的温度范围内观察到，涉及晶格膨胀和原子在晶体结构内的扩散。退火温度为673 K时相变的完成使薄膜的平均微晶尺寸最小化，并提高了塞贝克系数（〜140μVK ^-1）和热电功率因数（〜4.5 mWm ^-1  K ^-2）。发现小簇模型的分子轨道模拟，该实验使用线性递减的散射变量以及与温度有关的费米能进行，以确定电和热电性质，与实验结果相符。