Thermoelectric properties of two-dimensional hexagonal indium-VA

摘要

The electrical properties and thermoelectric (TE) properties of monolayer In-VA are investigated theoretically by combining first-principles method with Boltzmann transport theory.The ultralow intrinsic thermal conductivities of 2.64 W·m-1·K-1 (InP),1.31 W·m-1·K-1 (InAs),0.87 W·m-1·K-1 (InSb),and 0.62 W·m-1K-1 (InBi) evaluated at room temperature are close to typical thermal conductivity values of good TE materials (κ ＜ 2 W·m-1 ·K-1).The maximal ZT values of 0.779,0.583,0.696,0.727,and 0.373 for InN,InP,InAs,InSb,and InBi at p-type level are calculated at 900 K,which makes In-VA potential TE material working at medium-high temperature.