利用包络函数的平面波展开法计算准二维纳米线阵列中的电子态,获得电输运系数表达式.同时,通过合理近似考虑边界散射对声子输运的影响,计算得到了晶格热导率.以Si/Ge体系为例,研究了纳米线阵列横向输运的热电特性.结果表明:结构优值与费米能级、纳米线直径及间距等参数相关.通过对结构参数的调整,纳米线阵列的横向输运可有效提高热电性能.
The electronic structures of nanowire-composite arrays are calculated theoretically in the framework of effective-mass envelope function theory,and various coefficients about electronic transport are obtained.At the same time,a closed-form expression based on boundary scattering theory for lattice thermal conductivity is presented.Then the thermoelectric properties of Si nanowire/Ge host material are investigated as function of the Fermi energy,wire diameter and separation between nanowire sidewalls.The results show that the ZT value of nanowire-composite can be significantly increased by carefully adjusting the correlative parameters of the structure.