Diffused Lattice Vibration and Ultralow Thermal Conductivity in the Binary Ln–Nb–O Oxide System

Abstract In the pursuit of low thermal conductivity materials for thermal management, one always tries to increase the material entropy by increasing the number of components in the materials to scatter heat‐carrying phonons. However, it also drastically increases the technological complexity to synthesize materials with the target complex composition. Here, a material family is presented with simple composition Ln₃NbO₇, which only contains binary oxides of Ln₂O₃ (Ln = Dy, Er, Y, Yb) and Nb₂O₅. The thermal conductivities approach the theoretical minimum limit, where the large chemical inhomogeneity due to the charge disorder and fluctuation of bonding length in Ln₃NbO₇ plays a major role. Despite the simple composition, Ln₃NbO₇ demonstrates an unprecedentedly high scattering rate of vibration states, as confirmed by the highest elastic constant/thermal conductivity ratio, as well as the diffused wavevector‐frequency dispersion. In contrast to the conventional wisdom that low thermal conductivity materials should be explored in the pool of “complex” multiple‐component materials, this work points out an avenue to look into materials with simple composition but large internal chemical inhomogeneity, which would be of both scientific and technological significance in the fields of thermal barrier coating, thermoelectric materials, etc.